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
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 381.4
Topological Polar Surface Area (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
TTD ID
D0E7VO

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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