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

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

128.55

Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2	Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
3	Efficacy, pharmacodynamics, and safety of VX-702, a novel p38 MAPK inhibitor, in rheumatoid arthritis: results of two randomized, double-blind, placebo-controlled clinical studies. Arthritis Rheum. 2009 May;60(5):1232-41.
4	Pharmacological inhibitors of MAPK pathways. Trends Pharmacol Sci. 2002 Jan;23(1):40-5.
5	c-Jun N-terminal kinase inhibitors: a patent review (2010 - 2014).Expert Opin Ther Pat. 2015;25(8):849-72.