Details of the Drug

General Information of Drug (ID: DME9QR0)

Drug Name
S-(-)CPP
Synonyms
2-(4-CHLOROPHENOXY)PROPANOIC ACID; 3307-39-9; 2-(4-Chlorophenoxy)propionic acid; 4-CPP; 2-(p-Chlorophenoxy)propionic acid; 2-(4-chlorophenoxy) propionic acid; Propanoic acid, 2-(4-chlorophenoxy)-; 2-(4-CPP); C9H9ClO3; CHEBI:34603; DKHJWWRYTONYHB-UHFFFAOYSA-N; S-(-)CPP; EINECS 221-991-8; NSC 70174; alpha-(4-Chlorophenoxy)propionic acid; Propionic acid, 2-(p-chlorophenoxy)-; AC1L2CMI; C13701; NCIOpen2_003229; CHEMBL23629; SCHEMBL117259; AC1Q2C09; GTPL4098; ARONIS008729; Jsp006087; CTK4E4178; MolPort-000-685-652; NSC70174; SP4232
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) 200.62
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C9H9ClO3
IUPAC Name
2-(4-chlorophenoxy)propanoic acid
Canonical SMILES
CC(C(=O)O)OC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)
InChIKey
DKHJWWRYTONYHB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
18703
ChEBI ID
CHEMBL34603
CAS Number
3307-39-9
TTD ID
D02FUG
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
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
Chloride channel protein 1 (ClC-1) TTUYAF3 CLCN1_HUMAN Blocker (channel blocker) [2]
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: 4098).
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).