Details of the Drug

General Information of Drug (ID: DMLJ8T7)

Drug Name

SC-55634

Synonyms

CHEMBL9599; SC-55634; BDBM50281823

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

485.6

Logarithm of the Partition Coefficient (xlogp)

5.2

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C28H35N7O
IUPAC Name: 4-butyl-1-[(2S,6R)-2,6-dimethylcyclohexyl]-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-3-yl]methyl]imidazol-2-one
Canonical SMILES: CCCCC1=CN(C(=O)N1CC2=CN=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C5[C@@H](CCC[C@@H]5C)C
InChI: InChI=1S/C28H35N7O/c1-4-5-11-22-18-35(26-19(2)9-8-10-20(26)3)28(36)34(22)17-21-14-15-25(29-16-21)23-12-6-7-13-24(23)27-30-32-33-31-27/h6-7,12-16,18-20,26H,4-5,8-11,17H2,1-3H3,(H,30,31,32,33)/t19-,20+,26?
InChIKey: GBXQWPCVQAHRBS-NJEHHLDASA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensin II receptor type-2 (AGTR2)	TTQVOEI	AGTR2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	N1-sterically hindered 2H-imidazol-2-one angiotensin II receptor antagonists: The conversion of surmountable antagonists to insurmountable antagonists, Bioorg. Med. Chem. Lett. 3(6):1055-1060 (1993).