Details of the Drug

General Information of Drug (ID: DMXUBIK)

Drug Name

S-(-)CPB

Synonyms

2-(4-chlorophenoxy)butanoic acid; 10310-19-7; 2-(4-Chlorophenoxy)butyric acid; 34385-92-7; Butanoic acid, 2-(4-chlorophenoxy)-; Butanoic acid,2-(4-chlorophenoxy)-; S-(-)CPB; p-chlorophenoxybutyric acid; AC1L46GO; CHEMBL23477; SCHEMBL3028298; GTPL4097; CTK4A1742; CEJKAKCQVUWNNA-UHFFFAOYSA-N; MolPort-000-889-545; ZX-AN000853; ALBB-000862; ZX-AV000272; SP4251; SBB020800; STK501060; BBL002691; 7737AC; ETHYL(4-CHLOROPHENOXY)ACETATE; AKOS000103672; AKOS016345013; MCULE-4592400851; NCGC00327569-01; (2RS)-2-(4-chlorophenoxy)butyric acid; U469

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)

214.64

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H11ClO3
IUPAC Name: 2-(4-chlorophenoxy)butanoic acid
Canonical SMILES: CCC(C(=O)O)OC1=CC=C(C=C1)Cl
InChI: InChI=1S/C10H11ClO3/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,12,13)
InChIKey: CEJKAKCQVUWNNA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 151501
CAS Number: 10310-19-7
TTD ID: D0YK1E

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Chloride channel protein 1 (ClC-1)	TTUYAF3	CLCN1_HUMAN	Blocker (channel blocker)	[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: 4097).
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: 698).