Details of the Drug

General Information of Drug (ID: DMQN9ME)

• Drug Name: LGH-447

Indication

Disease Entry	ICD 11	Status	REF
Multiple myeloma	2A83	Phase 1/2	[1]

• #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
  UNII: 9TG5O4V25H
  DrugBank ID: DB14943
  TTD ID: D07EHV
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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-2 (PIM2)	TT69J2Z	PIM2_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• ICD Disease Classification: 02 Neoplasm
• Disease Class: ICD-11: 2C82 Prostate cancer
• The Studied Tissue: Bone marrow
• The Studied Disease: Multiple myeloma [ICD-11:2C82]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Serine/threonine-protein kinase pim-2 (PIM2)	DTT	PIM2	6.70E-03	0.59	1.1

References

• [1] ClinicalTrials.gov (NCT02144038) Study of the Safety and Effectiveness of LGH447 and BYL719 in Patients With Relapsed and Refractory Multiple Myeloma. U.S. National Institutes of Health.
• [2] Pan-PIM kinase inhibition provides a novel therapy for treating hematologic cancers. Clin Cancer Res. 2014 Apr 1;20(7):1834-45.