SEMAXANIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 71IA9S35AJ

Structure
InChI Key WUWDLXZGHZSWQZ-WQLSENKSSA-N
Smile Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1
InChI
InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14N2O
Molecular Weight 238.29
AlogP 3.12
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 44.89
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Stem cell growth factor receptor inhibitor
Primary Target
fms related receptor tyrosine kinase 1
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- 1200-1810 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- 11000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 4200-50000 - - 87
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 68-37900 - - 97
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- 170 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 16400 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Syk family
- 20700 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- - - - 94
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 12.9-12900 - - 40-40
Enzyme Transferase
- - - - 10.26-15.04
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 2.33-88.78
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Vasopressin and oxytocin receptor
11468 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colorectal Neoplasms 3 D015179 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Mesothelioma 2 D008654 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Neoplasms, Plasma Cell 2 D054219 ClinicalTrials
Colonic Neoplasms 1 D003110 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Head and Neck Neoplasms 1 D006258 ClinicalTrials
Central Nervous System Neoplasms 1 D016543 ClinicalTrials
Rectal Neoplasms 1 D012004 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 194413-58-6
ChEBI 91083
ChEMBL CHEMBL276711
DrugBank DB06436
FDA SRS 71IA9S35AJ
Guide to Pharmacology 5056
PDB X2M
PubChem 5329098
SureChEMBL SCHEMBL8190
ZINC ZINC000012410091
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