Details of the Drug

General Information of Drug (ID: DMYB5RV)

Drug Name

L-163017

Synonyms

L-163017; CHEMBL160494; SCHEMBL6556686; BDBM50049203; L000330

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): 3

Molecular Weight (mw)

653.8

Logarithm of the Partition Coefficient (xlogp)

7.2

Rotatable Bond Count (rotbonds)

13

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C36H39N5O5S
IUPAC Name: 3-methylbutyl N-[2-[4-[(6-benzamido-7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]sulfonylcarbamate
Canonical SMILES: CCCC1=NC2=C(C(=CN=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)OCCC(C)C)NC(=O)C5=CC=CC=C5)C
InChI: InChI=1S/C36H39N5O5S/c1-5-11-32-39-33-25(4)30(38-35(42)28-12-7-6-8-13-28)22-37-34(33)41(32)23-26-16-18-27(19-17-26)29-14-9-10-15-31(29)47(44,45)40-36(43)46-21-20-24(2)3/h6-10,12-19,22,24H,5,11,20-21,23H2,1-4H3,(H,38,42)(H,40,43)
InChIKey: WGFOETKPMPCUOG-UHFFFAOYSA-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 (AGTR)	TTGN1ZA	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

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 800004951)
2	In vivo pharmacology of an angiotensin AT1 receptor antagonist with balanced affinity for AT2 receptors. Eur J Pharmacol. 1995 Dec 29;294(2-3):439-50.