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]
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Therapeutic Class

Analgesics

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

456.4

Logarithm of the Partition Coefficient (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	[2]

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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	Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).