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]
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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: CHEBI:34603
CAS Number: 3307-39-9
TTD ID: D02FUG

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]

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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: 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).