Details of the Drug

General Information of Drug (ID: DMBYJ92)

Drug Name

Dilmapimod

Synonyms

Dilmapimod; SB-681323; 444606-18-2; UNII-Q3238VQW0N; GW 681323; SB 681323; Q3238VQW0N; GW681323; SB681323; Dilmapimod [USAN:INN]; GSK 681323; Dilmapimod (USAN/INN); GTPL7815; SCHEMBL1065268; CHEMBL2103838; ORVNHOYNEHYKJG-UHFFFAOYSA-N; BCP23819; ZINC34997404; CS-6731; DB12140; SB16737; 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-Pyrido[2,3-d]pyrimidin-7(8H)-one; HY-10404; GW-681323; DB-070558; FT-0718750; J3.498.915J; D09602; SB-681323; GW-681323

Indication

Disease Entry	ICD 11	Status	REF
Acute lung injury	NB32.3	Phase 2	[1], [2]

Therapeutic Class

Analgesics

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

456.4

Topological Polar Surface Area (xlogp)

3

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C23H19F3N4O3
IUPAC Name: 8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
Canonical SMILES: CC1=C(C=CC(=C1)F)C2=C3C=CC(=O)N(C3=NC(=N2)NC(CO)CO)C4=C(C=CC=C4F)F
InChI: InChI=1S/C23H19F3N4O3/c1-12-9-13(24)5-6-15(12)20-16-7-8-19(33)30(21-17(25)3-2-4-18(21)26)22(16)29-23(28-20)27-14(10-31)11-32/h2-9,14,31-32H,10-11H2,1H3,(H,27,28,29)
InChIKey: ORVNHOYNEHYKJG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10297982
CAS Number: 444606-18-2
DrugBank ID: DB12140
TTD ID: D0K0JQ

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	[3]

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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

Acute lung injury

ICD Disease Classification

NB32.3

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	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: 7815).
2	ClinicalTrials.gov (NCT00291902) A Pharmacokinetic Study Of SB-681323 In Subjects With Coronary Heart Disease Undergoing Percutaneous Intervention. U.S. National Institutes of Health.
3	Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
4	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.
5	Pharmacological inhibitors of MAPK pathways. Trends Pharmacol Sci. 2002 Jan;23(1):40-5.
6	c-Jun N-terminal kinase inhibitors: a patent review (2010 - 2014).Expert Opin Ther Pat. 2015;25(8):849-72.