Details of the Drug

General Information of Drug (ID: DM7W0JE)

Drug Name
LEO 124249
Synonyms
delgocitinib; Delgocitinib; UNII-9L0Q8KK220; JTE-052; 9L0Q8KK220; 1263774-59-9; Delgocitinib [USAN]; Delgocitinib (JAN/USAN); JTE052; JTE-052A; GTPL9619; SCHEMBL12547007; LEO 124249A; HY-109053; CS-0031558; D11046; 1,6-Diazaspiro(3.4)octane-1-propanenitrile, 3-methyl-beta-oxo-6-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-, (3S,4R)-; 3-((3S,4R)-3-methyl-6-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1,6-diazaspiro(3.4)octan-1-yl)-3-oxopropanenitrile
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Phase 2 [1]
Eczema EA80-EA89 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 310.35
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H18N6O
IUPAC Name
3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxopropanenitrile
Canonical SMILES
C[C@H]1CN([C@]12CCN(C2)C3=NC=NC4=C3C=CN4)C(=O)CC#N
InChI
InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1
InChIKey
LOWWYYZBZNSPDT-ZBEGNZNMSA-N
Cross-matching ID
PubChem CID
50914062
ChEBI ID
CHEMBL4297507
CAS Number
1263774-59-9
UNII
9L0Q8KK220
DrugBank ID
DB16133
TTD ID
D05UGH
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Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tyrosine-protein kinase (PTK) TTJSQEF NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)