Details of the Drug

General Information of Drug (ID: DM2E3X5)

• Drug Name: 2-Chlorophenol
• Synonyms: 2-CHLOROPHENOL; o-Chlorophenol; 95-57-8; Phenol, 2-chloro-; 2-Hydroxychlorobenzene; o-Chlorphenol; o-Chlorophenic acid; Phenol, o-chloro-; 2-Chloro-1-hydroxybenzene; CHLOROPHENOL; Septi-Kleen; 2-chloro-phenol; RCRA waste number U048; Pine-O Disinfectant; Caswell No. 203; o-Chlorphenol [German]; UNII-K9KAV4K6BN; Phenol, chloro-; NSC 2870; CCRIS 640; HSDB 1415; EINECS 202-433-2; K9KAV4K6BN; RCRA waste no. U048; 1-Chloro-2-hydroxybenzene; EPA Pesticide Chemical Code 062204; AI3-09060; CHEBI:47083; ISPYQTSUDJAMAB-UHFFFAOYSA-N

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 128.55
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C6H5ClO
  IUPAC Name: 2-chlorophenol
  Canonical SMILES: C1=CC=C(C(=C1)O)Cl
  InChI: InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
  InChIKey: ISPYQTSUDJAMAB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 7245
  ChEBI ID: CHEBI:47083
  CAS Number: 95-57-8
  DrugBank ID: DB03110
  TTD ID: D09ZZI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Stress-activated protein kinase 2a (p38 alpha)	TTQBR95	MK14_HUMAN	Inhibitor	[1]

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
Stress-activated protein kinase 2a (p38 alpha)	DTT	MAPK14	7.98E-04	1.33	2.48

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.