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]
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
UNII
Q3238VQW0N
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]
Molecular Interaction Atlas (MIA) 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) 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).