SURUFATINIB

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Synonyms
Status
Molecule Category Free-form
UNII B2K5L1L8S9

Structure

InChI Key TTZSNFLLYPYKIL-UHFFFAOYSA-N
Smiles Cc1cc2cc(Oc3ccnc(Nc4cccc(CS(=O)(=O)NCCN(C)C)c4)n3)ccc2[nH]1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H28N6O3S
Molecular Weight 480.59
AlogP 3.78
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 112.24
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Fibroblast growth factor receptor 1 inhibitor INHIBITOR Other ClinicalTrials Other

Target Conservation

Protein: Fibroblast growth factor receptor 1
Description: Fibroblast growth factor receptor 1
Organism : Homo sapiens
P11362 ENSG00000077782
Protein: Vascular endothelial growth factor receptor
Description: Vascular endothelial growth factor receptor 1
Organism : Homo sapiens
P17948 ENSG00000102755
Protein: Vascular endothelial growth factor receptor
Description: Vascular endothelial growth factor receptor 3
Organism : Homo sapiens
P35916 ENSG00000037280
Protein: Vascular endothelial growth factor receptor
Description: Vascular endothelial growth factor receptor 2
Organism : Homo sapiens
P35968 ENSG00000128052

Cross References

Resources Reference
ChEMBL CHEMBL4297190
DrugBank DB15106
FDA SRS B2K5L1L8S9
Guide to Pharmacology 9769
PubChem 52920501
SureChEMBL SCHEMBL1822601
ZINC ZINC000117218067
CONTENTS