Details of the Drug

General Information of Drug (ID: DMS2KEG)

Drug Name

KW-3433

Synonyms

CHEMBL433895; BDBM50049200

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): 0

Molecular Weight (mw)

435.5

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C26H25N7
IUPAC Name: 2-ethyl-5,7-dimethyl-3-[[9-(2H-tetrazol-5-ylmethyl)-9H-fluoren-2-yl]methyl]imidazo[4,5-b]pyridine
Canonical SMILES: CCC1=NC2=C(N1CC3=CC4=C(C=C3)C5=CC=CC=C5C4CC6=NNN=N6)N=C(C=C2C)C
InChI: InChI=1S/C26H25N7/c1-4-24-28-25-15(2)11-16(3)27-26(25)33(24)14-17-9-10-20-18-7-5-6-8-19(18)22(21(20)12-17)13-23-29-31-32-30-23/h5-12,22H,4,13-14H2,1-3H3,(H,29,30,31,32)
InChIKey: DYYWUYUUDYPWON-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 800004961)
2	Effects of various antihypertensive drugs on the function of osteoblast. Biol Pharm Bull. 2001 Jun;24(6):628-33.