Details of the Drug

General Information of Drug (ID: DMKWJ59)

Drug Name
SC-52150
Synonyms IDDB4363
Indication
Disease Entry ICD 11 Status REF
Vomiting MD90 Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 173.41
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 1
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C6H9BClNO2
IUPAC Name
(4-aminophenyl)boronic acid;hydrochloride
Canonical SMILES
B(C1=CC=C(C=C1)N)(O)O.Cl
InChI
InChI=1S/C6H8BNO2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,9-10H,8H2;1H
InChIKey
QBYGJJSFMOVYOA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2734614
CAS Number
80460-73-7
TTD ID
D0C5DM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 3 receptor (5HT3R) TTNXLKE NOUNIPROTAC Modulator [2]
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 800001830)
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001830)