Details of the Drug

General Information of Drug (ID: DMDIW1M)

Drug Name

CBIQ

Synonyms

4-Chlorobenzo[f]isoquinoline; 32081-28-0; SCHEMBL610880; GTPL4152; CHEMBL1372588; CTK8F8501; DTXSID30464737; HMS3260E20; ZINC2577904; Tox21_500109; CBIQ, > MFCD02179769; AKOS017550392; CCG-221413; LP00109; NCGC00093606-01; NCGC00093606-05; NCGC00260794-01; NCGC00093606-03; NCGC00093606-04; NCGC00093606-02; KB-38182; UX00000203; FT-0618182

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

213.66

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C13H8ClN
IUPAC Name: 4-chlorobenzo[f]isoquinoline
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CN=C3Cl
InChI: InChI=1S/C13H8ClN/c14-13-12-6-5-9-3-1-2-4-10(9)11(12)7-8-15-13/h1-8H
InChIKey: SHQLTRRYZVBEMR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11401613
CAS Number: 32081-28-0
TTD ID: D04ZIP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
cAMP-dependent chloride channel (CFTR)	TTRLZHP	CFTR_HUMAN	Activator	[2]

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

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4152).
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 707).