Details of the Drug

General Information of Drug (ID: DMEB0FX)

Drug Name

CV-11194

Synonyms

CV-11194; CV 11194; 136284-47-4; CHEMBL48242; 1H-Benzimidazole-7-carboxylicacid, 2-butyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-; FLOKGHWIQFCIJW-UHFFFAOYSA-N; AC1MHFWM; ACMC-1CI8P; SCHEMBL905714; SCHEMBL12787593; CTK0H7043; DTXSID70159756; BDBM50044402; 2-Butyl-1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-benzimidazole-7-carboxylic acid; 2-Butyl-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1H-benzimidazole-7-carboxylic acid; L005054

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)

452.5

Logarithm of the Partition Coefficient (xlogp)

5.1

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C26H24N6O2
IUPAC Name: 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
Canonical SMILES: CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O
InChI: InChI=1S/C26H24N6O2/c1-2-3-11-23-27-22-10-6-9-21(26(33)34)24(22)32(23)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)25-28-30-31-29-25/h4-10,12-15H,2-3,11,16H2,1H3,(H,33,34)(H,28,29,30,31)
InChIKey: FLOKGHWIQFCIJW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3025727
CAS Number: 136284-47-4
TTD ID: D0OO4P

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensin II receptor type-1 (AGTR1)	TT8DBY3	AGTR1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Angiotensin II receptor type-1 (AGTR1)	DTT	AGTR1	8.95E-01	1.34E-02	0.07

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Synthesis and angiotensin II receptor antagonistic activities of benzimidazole derivatives bearing acidic heterocycles as novel tetrazole bioisoste... J Med Chem. 1996 Dec 20;39(26):5228-35.