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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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)