Details of the Drug

General Information of Drug (ID: DM9P4ZN)

Drug Name

EXP-6803

Synonyms

114773-44-3; 1H-Imidazole-5-aceticacid, 2-butyl-1-[[4-[(2-carboxybenzoyl)amino]phenyl]methyl]-4-chloro-, 5-methylester, sodium salt (1:1); Exp 6803; AC1Q1VXO; ACMC-20d225; CTK4A8893; sodium 2-(2-butyl-1-{4-[(2-carboxybenzoyl)amino]benzyl}-4-chloro-1h-imidazol-5-yl)propanoate; Methyl 2-n-butyl-1-(4-(2-carboxybenzamido)benzyl)-4-chloroimidazole-5-acetate; 1H-Imidazole-5-acetic acid, 2-butyl-1-((4-((2-carboxybenzoyl)amino)phenyl)methyl)-4-chloro-, alpha-methyl ester, monosodium salt

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

505.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

10

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C25H25ClN3NaO5
IUPAC Name: sodium;2-[2-butyl-3-[[4-[(2-carboxybenzoyl)amino]phenyl]methyl]-5-chloroimidazol-4-yl]propanoate
Canonical SMILES: CCCCC1=NC(=C(N1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C(C)C(=O)[O-])Cl.[Na+]
InChI: InChI=1S/C25H26ClN3O5.Na/c1-3-4-9-20-28-22(26)21(15(2)24(31)32)29(20)14-16-10-12-17(13-11-16)27-23(30)18-7-5-6-8-19(18)25(33)34;/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,27,30)(H,31,32)(H,33,34);/q;+1/p-1
InChIKey: OSDQJFVHDVAJSD-UHFFFAOYSA-M

Cross-matching ID

PubChem CID: 23695961
CAS Number: 114773-44-3
TTD ID: D08VTA

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 800000418)
2	Nonpeptide angiotensin II receptor antagonists. IV. EXP6155 and EXP6803. Hypertension. 1989 May;13(5):489-97.