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]
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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

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]

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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).