ATB | Existing Molecules

Selected Molecules (1-100 of 521)

Molid	Formula	Iupac	Common Name	Chembl Id	Clinical Phase	Atoms	Charge	Curation	Visibility
2052270	C₁₀H₁₉O₆PS₂	(2S)-1,4-diethoxy-2- ...	Diethyl(2S)-2-[(dimethoxyphosphorothioyl)sulfanyl]succinate ...		3	38	0	ATB	Public
2045135	C₁₀H₁₉O₆PS₂	(2S)-1,4-diethoxy-2- ...	Diethyl(2S)-2-[(dimethoxyphosphorothioyl)sulfanyl]succinate ...		3	38	0	ATB	Public
2022434	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
2017608	C₈H₁₀N₄O₂	1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione ...	Caffeine	113	4	24	0	ATB	Public
2013193	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
2012313	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
2012198	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
2011921	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
2009577	C₅H₁₀O	pentanal	Valeraldehyde	18602	4	16	0	ATB	Public
2009449	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
2009169	C₇H₆O	benzaldehyde	Benzaldehyde	15972	4	14	0	ATB	Public
2008903	C₇H₁₄O	heptanal	Heptanal	18104	4	22	0	ATB	Public
2006860	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1951671	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1950033	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1949271	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1949251	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1948168	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1947743	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1947242	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1931408	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1918970	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1913246	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1913245	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1912734	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1837667	C₁₃H₁₈O₂	(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid ...	(R)-(-)-Ibuprofen	427526	4	33	0	ATB	Public
1824206	C₁₀H₂₀O	decan-2-one	2-Decanone	47127	3	31	0	ATB	Public
1798317	C₈H₉NO₂	N-(4-hydroxyphenyl)acetamide ...	Paracetamol	112	4	20	0	ATB	Public
1798316	C₈H₉NO₂	N-(4-hydroxyphenyl)acetamide ...	Paracetamol	112	4	20	0	ATB	Public
1776774	C₈H₁₀N₄O₂	1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione ...	Caffeine	113	4	24	0	ATB	Public
1760785	C₇H₈O	phenylmethanol	Benzylalcohol	720	3	16	0	ATB	Public
1757416	C₃H₄N₂	1H-imidazole	-		3	9	0	ATB	Public
1744659	C₈H₁₀O	2-phenylethan-1-ol	Phenylethylalcohol	448500	4	19	0	ATB	Public
1740188	C₃H₄N₂	1H-imidazole	-		3	9	0	ATB	Public
1739624	C₄H₇O₂	butanoate	1-λ¹-oxidanylbutan-1-one ...	14227	4	13	-1	ATB	Public
1735276	C₇H₇NO	benzamide	Benzamide	267373	4	16	0	ATB	Public
1735275	C₇H₇NO	benzamide	Benzamide	267373	4	16	0	ATB	Public
1717659	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1717507	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1717393	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1716786	C₁₀H₂₂	decane	Decane	134537	3	32	0	ATB	Public
1716564	C₈H₉NO₂	N-(4-hydroxyphenyl)acetamide ...	Paracetamol	112	4	20	0	ATB	Public
1711471	C₁₇H₂₁NO	2-(diphenylmethoxy)-N,N-dimethylethan-1-amine ...	Diphenhydramine	657	4	40	0	ATB	Public
1711470	C₁₇H₂₁NO	2-(diphenylmethoxy)-N,N-dimethylethan-1-amine ...	Diphenhydramine	657	4	40	0	ATB	Public
1711469	C₁₇H₂₁NO	2-(diphenylmethoxy)-N,N-dimethylethan-1-amine ...	Diphenhydramine	657	4	40	0	ATB	Public
1711468	C₁₇H₂₁NO	2-(diphenylmethoxy)-N,N-dimethylethan-1-amine ...	Diphenhydramine	657	4	40	0	ATB	Public
1707000	C₈H₉NO₂	N-(4-hydroxyphenyl)acetamide ...	Paracetamol	112	4	20	0	ATB	Public
1671591	C₃H₈O₃	propane-1,2,3-triol	glycerine	692	4	14	0	ATB	Public
1633841	C₁₄H₁₁Cl₂NO₂	[2-(2,6-dichloroanilino)phenyl]acetic acid ...	Diclofenac	139	4	30	0	ATB	Public
1623751	C₄H₇O₂	butanoate	1-λ¹-oxidanylbutan-1-one ...	14227	4	13	-1	ATB	Public
1623750	C₄H₇O₂	butanoate	1-λ¹-oxidanylbutan-1-one ...	14227	4	13	-1	ATB	Public
1623494	C₁₄H₁₁Cl₂NO₂	[2-(2,6-dichloroanilino)phenyl]acetic acid ...	Diclofenac	139	4	30	0	ATB	Public
1620367	C₁₀H₁₉O₆PS₂	(2S)-1,4-diethoxy-2- ...	Diethyl(2S)-2-[(dimethoxyphosphorothioyl)sulfanyl]succinate ...		3	38	0	ATB	Public
1612547	C₆H₆O₂	benzene-1,4-diol	Hydroquinone	537	4	14	0	ATB	Public
1612539	C₁₀H₁₉O₆PS₂	(2S)-1,4-diethoxy-2- ...	Diethyl(2S)-2-[(dimethoxyphosphorothioyl)sulfanyl]succinate ...		3	38	0	ATB	Public
1610679	C₁₄H₁₁Cl₂NO₂	[2-(2,6-dichloroanilino)phenyl]acetic acid ...	Diclofenac	139	4	30	0	ATB	Public
1610555	C₂HCl₃	1,1,2-trichloroethene ...	Trichloroethylene	279816	1	6	0	ATB	Public
1575968	C₁₀H₁₉O₆PS₂	(2S)-1,4-diethoxy-2- ...	Diethyl(2S)-2-[(dimethoxyphosphorothioyl)sulfanyl]succinate ...		3	38	0	ATB	Public
1569504	C₁₃H₁₈O₂	(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid ...	(R)-(-)-Ibuprofen	427526	4	33	0	ATB	Public
1406847	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1406737	C₁₀H₁₉O₆PS₂	(2S)-1,4-diethoxy-2- ...	Diethyl(2S)-2-[(dimethoxyphosphorothioyl)sulfanyl]succinate ...		3	38	0	ATB	Public
1398718	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1398442	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1398350	C₃H₈O₃	propane-1,2,3-triol	glycerine	692	4	14	0	ATB	Public
1398346	C₃H₈O₃	propane-1,2,3-triol	glycerine	692	4	14	0	ATB	Public
1398150	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1397824	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1397635	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1397581	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1397521	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1397471	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1392788	C₆H₆O	phenol	Phenol	14060	1	13	0	ATB	Public
1392787	C₆H₆O	phenol	Phenol	14060	1	13	0	ATB	Public
1282998	C₃H₈O₃	propane-1,2,3-triol	glycerine	692	4	14	0	ATB	Public
1277905	C₃H₈O₃	propane-1,2,3-triol	glycerine	692	4	14	0	ATB	Public
1277307	C₃H₈O₃	propane-1,2,3-triol	glycerine	692	4	14	0	ATB	Public
1277303	C₃H₈O₃	propane-1,2,3-triol	glycerine	692	4	14	0	ATB	Public
1277192	C₃H₈O₃	propane-1,2,3-triol	glycerine	692	4	14	0	ATB	Public
1273438	C₂H₅NO	acetamide	Acetamide	16081	2	9	0	ATB	Public
1263421	C₁₄H₁₁Cl₂NO₂	[2-(2,6-dichloroanilino)phenyl]acetic acid ...	Diclofenac	139	4	30	0	ATB	Public
1263183	C₁₀H₁₉O₆PS₂	(2S)-1,4-diethoxy-2- ...	Diethyl(2S)-2-[(dimethoxyphosphorothioyl)sulfanyl]succinate ...		3	38	0	ATB	Public
1262396	C₁₀H₁₉O₆PS₂	(2S)-1,4-diethoxy-2- ...	Diethyl(2S)-2-[(dimethoxyphosphorothioyl)sulfanyl]succinate ...		3	38	0	ATB	Public
1262252	C₁₀H₁₉O₆PS₂	(2S)-1,4-diethoxy-2- ...	Diethyl(2S)-2-[(dimethoxyphosphorothioyl)sulfanyl]succinate ...		3	38	0	ATB	Public
1254925	C₃H₈O₃	propane-1,2,3-triol	glycerine	692	4	14	0	ATB	Public
1254509	C₅H₁₀O	pentanal	Valeraldehyde	18602	4	16	0	ATB	Public
1249522	C₆H₆O	phenol	Phenol	14060	1	13	0	ATB	Public
1246800	C₃H₈O₃	propane-1,2,3-triol	glycerine	692	4	14	0	ATB	Public
1230771	C₇H₆O	benzaldehyde	Benzaldehyde	15972	4	14	0	ATB	Public
1225888	C₈H₉NO₂	N-(4-hydroxyphenyl)acetamide ...	Paracetamol	112	4	20	0	ATB	Public
1213485	C₆H₁₂O₆	beta-D-glucopyranose	.beta.-D-Glucopyranose ...	1614854	4	24	0	ATB	Public
1212520	C₁₀H₂₀O	(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol ...	L-(-)-Menthol	470670	4	31	0	ATB	Public
1212518	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1212517	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1212516	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1212515	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1212514	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1212513	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1212512	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1212511	C₂₀H₂₃N	2-[3-(dimethylamino) ...	Amitriptyline	629	4	44	0	ATB	Public
1212506	C₁₇H₂₁NO	2-(diphenylmethoxy)-N,N-dimethylethan-1-amine ...	Diphenhydramine	657	4	40	0	ATB	Public