Details of the Drug

General Information of Drug (ID: DMBP1TQ)

Drug Name
2-(2-(2-chlorophenoxy)phenyl)acetic acid
Synonyms CHEMBL30038; 2-(2-(2-chlorophenoxy)phenyl)acetic acid; BDBM50295282; ZINC28766380; [2-(2-Chloro-phenoxy)-phenyl]-acetic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 262.69
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H11ClO3
IUPAC Name
2-[2-(2-chlorophenoxy)phenyl]acetic acid
Canonical SMILES
C1=CC=C(C(=C1)CC(=O)O)OC2=CC=CC=C2Cl
InChI
InChI=1S/C14H11ClO3/c15-11-6-2-4-8-13(11)18-12-7-3-1-5-10(12)9-14(16)17/h1-8H,9H2,(H,16,17)
InChIKey
SYANOAWCBFRXNL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
15581854
ChEBI ID
CHEMBL30038
CAS Number
81682-40-8
TTD ID
D0Q8ZV
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Interleukin-8 (IL8) TTCTE1G IL8_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Interleukin-8 (IL8) DTT CXCL8 9.05E-17 2.09 3.08
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Structure-Activity Relationship of novel phenylacetic CXCR1 inhibitors. Bioorg Med Chem Lett. 2009 Aug 1;19(15):4026-30.