SITRAVATINIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: CWG62Q1VTB

Structure
InChI Key WLAVZAAODLTUSW-UHFFFAOYSA-N
Smile COCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c3s2)nc1
InChI
InChI=1S/C33H29F2N5O4S/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42)

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H29F2N5O4S
Molecular Weight 629.69
AlogP 6.52
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 12.0
Polar Surface Area 114.47
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 45.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- 2 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 20 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 6 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- 5 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 5-5 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Liposarcoma 2 D008080 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Biliary Tract Neoplasms 2 D001661 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Adenocarcinoma 2 D000230 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Squamous Cell Carcinoma of Head and Neck 0 D000077195 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 1123837-84-2
ChEMBL CHEMBL3989926
DrugBank DB15036
FDA SRS CWG62Q1VTB
Guide to Pharmacology 9920
PubChem 25212148
SureChEMBL SCHEMBL172015
ZINC ZINC000164334830
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