Details of the Drug

General Information of Drug (ID: DMXA6LU)

Drug Name

SC-52892

Synonyms

CHEMBL9642; SC-52892; SCHEMBL7679693; MIKRUZGZQMVMAG-UHFFFAOYSA-N; BDBM50281814; L007546; 1,4-Dibutyl-3-{6-[2-(1H-tetrazol-5-yl)-phenyl]-pyridin-3-ylmethyl}-1,3-dihydro-imidazol-2-one

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): 0

Molecular Weight (mw)

431.5

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C24H29N7O
IUPAC Name: 1,4-dibutyl-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)CCCC
InChI: InChI=1S/C24H29N7O/c1-3-5-9-19-17-30(14-6-4-2)24(32)31(19)16-18-12-13-22(25-15-18)20-10-7-8-11-21(20)23-26-28-29-27-23/h7-8,10-13,15,17H,3-6,9,14,16H2,1-2H3,(H,26,27,28,29)
InChIKey: MIKRUZGZQMVMAG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9932483
TTD ID: D0O0SH

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)

MIA Detail

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).