Details of the Drug

General Information of Drug (ID: DMQZJYS)

Drug Name
3-phenyl-CPP
Synonyms 3-phenyl-CPP; GTPL4104; SCHEMBL20553475; 2-(4-chlorophenoxy)-3-phenylpropanoic acid; 2-(p-chlorophenoxy)-3-phenylpropionic acid
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) 276.71
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H13ClO3
IUPAC Name
2-(4-chlorophenoxy)-3-phenylpropanoic acid
Canonical SMILES
C1=CC=C(C=C1)CC(C(=O)O)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)
InChIKey
CPBLTMSKPQDJPW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10356116
TTD ID
D0S2HQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Chloride channel protein ClC-Ka (ClC-K1) TT823N1 CLCKA_HUMAN Blocker (channel blocker) [2]
Chloride channel protein ClC-Kb (ClC-K2) TTR68GQ CLCKB_HUMAN Blocker (channel blocker) [3]
Molecular Interaction Atlas (MIA) 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: 4104).
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: 700).
3 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: 701).