Details of the Drug

General Information of Drug (ID: DM2G7IP)

Drug Name

E-4177

Synonyms

E-4177; 135070-05-2; CHEMBL71162; 2-[4-[(8-cyclopropyl-5-methyl-2,7,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraen-9-yl)methyl]phenyl]benzoic acid; E4177; VWWMGPCUZVOLLK-UHFFFAOYSA-N; ACMC-20mvn4; AC1L2ZXE; E 4177; SCHEMBL685515; CTK0I0030; DTXSID50159239; BDBM50049212; 3-((2'-Carboxybiphenyl-4-yl)methyl)-2-cyclopropyl-7-methyl-3H-imidazo(4,5-b)pyridine; L004970; 4''-(2-Cyclopropyl-7-methyl-imidazo[4,5-b]pyridin-3-ylmethyl)-biphenyl-2-carboxylic acid

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

383.4

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C24H21N3O2
IUPAC Name: 2-[4-[(2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid
Canonical SMILES: CC1=C2C(=NC=C1)N(C(=N2)C3CC3)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O
InChI: InChI=1S/C24H21N3O2/c1-15-12-13-25-23-21(15)26-22(18-10-11-18)27(23)14-16-6-8-17(9-7-16)19-4-2-3-5-20(19)24(28)29/h2-9,12-13,18H,10-11,14H2,1H3,(H,28,29)
InChIKey: VWWMGPCUZVOLLK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 131857
CAS Number: 135070-05-2
TTD ID: D0M7PS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensin II receptor (AGTR)	TTGN1ZA	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002106)
2	Prevention of renal damage by angiotensin II blockade, accompanied by increased renal hepatocyte growth factor in experimental hypertensive rats. Hypertension. 1999 Aug;34(2):279-84.