Details of the Drug

General Information of Drug (ID: DM5PATM)

• Drug Name: PMID24900538C2c
• Synonyms: GTPL8138; BDBM50392791; US8486966, 1

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 381.4
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C19H20FN7O
  IUPAC Name: N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
  Canonical SMILES: C[C@@H](C1=NC=C(C=C1)F)NC2=NC3=C(C=C2)N=CN3C4=CC(=NN4)OC(C)C
  InChI: InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
  InChIKey: FZBVNCFBCNXULH-LBPRGKRZSA-N
• Cross-matching ID:
  PubChem CID: 59627005
  ChEBI ID: CHEMBL2151321
  TTD ID: D0E7VO
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• 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
ABL messenger RNA (ABL mRNA)	TT6B75U	ABL1_HUMAN	Inhibitor	[1]
Fibroblast growth factor receptor 1 (FGFR1)	TTRLW2X	FGFR1_HUMAN	Inhibitor	[1]
Fms-like tyrosine kinase 3 (FLT-3)	TTGJCWZ	FLT3_HUMAN	Inhibitor	[1]
NT-3 growth factor receptor (TrkC)	TTXABCW	NTRK3_HUMAN	Inhibitor	[1]
Phosphorylase kinase testis gamma 2 (PHKG2)	TTI5WS6	PHKG2_HUMAN	Inhibitor	[1]
Salt-inducible kinase 1 (SIK1)	TT1H6LC	SIK1_HUMAN	Inhibitor	[1]
Testis-specific serine kinase 2 (TSSK2)	TTA3Z2W	TSSK2_HUMAN	Inhibitor	[1]
Tyrosine-protein kinase BTK (ATK)	TTGM6VW	BTK_HUMAN	Inhibitor	[1]
Tyrosine-protein kinase Fgr (FGR)	TTPOGS1	FGR_HUMAN	Inhibitor	[1]
WNK lysine-deficient protein kinase 3 (WNK3)	TTI7FDX	WNK3_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
NT-3 growth factor receptor (TrkC)	DTT	NTRK3	7.06E-04	-0.14	-0.43
Fibroblast growth factor receptor 1 (FGFR1)	DTT	FGFR1	4.79E-02	-0.03	-0.15
Fms-like tyrosine kinase 3 (FLT-3)	DTT	FLT3	2.11E-01	-0.05	-0.16

References

• [1] Discovery of Disubstituted Imidazo[4,5-b]pyridines and Purines as Potent TrkA Inhibitors. ACS Med Chem Lett. 2012 Jul 26;3(9):705-9.