Details of the Drug

General Information of Drug (ID: DMU26OE)

Drug Name
PIM447
Synonyms
VRQXRVAKPDCRCI-ZNMIVQPWSA-N; PIM-447; 1210608-43-7; PIM447 (LGH447); N-{4-[(1r,3s,5s)-3-Amino-5-Methylcyclohexyl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide; N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide; UNII-9TG5O4V25H; SCHEMBL3215332; GTPL9790; 9TG5O4V25H; CHEMBL3651966; PIM 447 [WHO-DD]; BDBM106870; ZINC116907270; AKOS032945086; CS-5929; compound 8 [PMID: 26505898]; HY-19322; J3.552.648J; US8592455, 70; 5H7; 2-Pyr
Indication
Disease Entry ICD 11 Status REF
Myelofibrosis 2A20.2 Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 440.5
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C24H23F3N4O
IUPAC Name
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
Canonical SMILES
C[C@H]1C[C@H](C[C@H](C1)N)C2=C(C=NC=C2)NC(=O)C3=NC(=C(C=C3)F)C4=C(C=CC=C4F)F
InChI
InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1
InChIKey
VRQXRVAKPDCRCI-ZNMIVQPWSA-N
Cross-matching ID
PubChem CID
44814409
ChEBI ID
CHEMBL3651966
CAS Number
1210608-43-7
TTD ID
D01QNR
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Serine/threonine-protein kinase pim (PIM) TTA7WGU 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)