Details of the Drug

General Information of Drug (ID: DMGJNQW)

Drug Name

WY-48989

Synonyms

WY 48989; 136917-40-3; 4-((2-(7-Chloro-2-phenyl-2H-pyrazolo(4,3-c)quinolin-4-yl)ethyl)amino)benzonitrile; 4-[[2-(7-chloro-2-phenyl-2h-pyrazolo[4,3-c]quinolin-4-yl)ethyl]amino]benzonitrile; Wy-48989; WY-48,989; AC1L307T; SCHEMBL10625720; DTXSID90160006; GYVYUQVVKBZPRY-UHFFFAOYSA-N; 4[[2-(7-Chloro-2-phenyl-2H-pyrazolo[4,3-c]quinolin-4-yl)ethyl]amino]benzonitrile

Indication

Disease Entry	ICD 11	Status	REF
Rheumatoid arthritis	FA20	Terminated	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

423.9

Logarithm of the Partition Coefficient (xlogp)

5.8

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C25H18ClN5
IUPAC Name: 4-[2-(7-chloro-2-phenylpyrazolo[4,3-c]quinolin-4-yl)ethylamino]benzonitrile
Canonical SMILES: C1=CC=C(C=C1)N2C=C3C(=NC4=C(C3=N2)C=CC(=C4)Cl)CCNC5=CC=C(C=C5)C#N
InChI: InChI=1S/C25H18ClN5/c26-18-8-11-21-24(14-18)29-23(12-13-28-19-9-6-17(15-27)7-10-19)22-16-31(30-25(21)22)20-4-2-1-3-5-20/h1-11,14,16,28H,12-13H2
InChIKey: GYVYUQVVKBZPRY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 132006
CAS Number: 136917-40-3
TTD ID: D04YNI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protease unspecific (PRO)	TTZBFA0	NOUNIPROTAC	Modulator	[2]

------------------------------------------------------------------------------------

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 800003820)
2	Inhibition of interleukin-1 (IL-1) induced neutral proteases from rabbit articular chondrocytes by WY-46,135 and WY-48,989. Agents Actions. 1991 Sep;34(1-2):223-5.