Details of the Drug

General Information of Drug (ID: DMPOTM4)

Drug Name
Sulfatinib
Synonyms Anticancer agents, Hutchison; HMPL-012; Kinase inhibitors (cancer), Hutchison; VEGFR-1, 2, 3 and FGFR 1 inhibitor (oral, cancer), Hutchison
Indication
Disease Entry ICD 11 Status REF
Neuroendocrine cancer 2B72.1 Phase 3 [1]
Solid tumour/cancer 2A00-2F9Z Phase 1 [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 480.6
Topological Polar Surface Area (xlogp) 3.4
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C24H28N6O3S
IUPAC Name
N-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
Canonical SMILES
CC1=CC2=C(N1)C=CC(=C2)OC3=NC(=NC=C3)NC4=CC=CC(=C4)CS(=O)(=O)NCCN(C)C
InChI
InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)
InChIKey
TTZSNFLLYPYKIL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
52920501
CAS Number
1308672-74-3
TTD ID
D05PWX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fibroblast growth factor receptor 1 (FGFR1) TTRLW2X FGFR1_HUMAN Inhibitor [3]
Macrophage colony-stimulating factor 1 receptor (CSF1R) TT7MRDV CSF1R_HUMAN Inhibitor [4]
Vascular endothelial growth factor receptor (VEGFR) TTVJ1D8 NOUNIPROTAC Inhibitor [4]
Vascular endothelial growth factor receptor 1 (FLT-1) TT2Q6G1 VGFR1_HUMAN Inhibitor [3]
Vascular endothelial growth factor receptor 2 (KDR) TTUTJGQ VGFR2_HUMAN Inhibitor [3]
Vascular endothelial growth factor receptor 3 (FLT-4) TTDCBX5 VGFR3_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Neuroendocrine cancer
ICD Disease Classification 2B72.1
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Vascular endothelial growth factor receptor 2 (KDR) DTT KDR 1.98E-01 0.11 0.2
Fibroblast growth factor receptor 1 (FGFR1) DTT FGFR1 4.79E-02 -0.03 -0.15
Vascular endothelial growth factor receptor 3 (FLT-4) DTT FLT4 6.00E-01 -0.04 -0.23
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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