TARLOXOTINIB

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Synonyms
Status
Molecule Category UNKNOWN
UNII H8768UL06V

Structure

InChI Key MUJMYVFVAWFUJL-SNAWJCMRSA-O
Smiles Cn1cnc([N+](=O)[O-])c1C[N+](C)(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(Cl)c(Br)c3)ncnc2cn1
InChI
InChI=1S/C24H23BrClN9O3/c1-33-14-30-24(34(37)38)20(33)12-35(2,3)8-4-5-22(36)32-21-10-16-19(11-27-21)28-13-29-23(16)31-15-6-7-18(26)17(25)9-15/h4-7,9-11,13-14H,8,12H2,1-3H3,(H-,27,28,29,31,32,36)/p+1/b5-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H24BrClN9O3+
Molecular Weight 601.87
AlogP 4.6
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 140.76
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 38.0

Bioactivity

Mechanism of Action Action Reference
Epidermal growth factor receptor inhibitor INHIBITOR PubMed
Protein: Epidermal growth factor receptor
Description: Epidermal growth factor receptor
Organism : Homo sapiens
P00533 ENSG00000146648
Protein: Epidermal growth factor receptor
Description: Receptor tyrosine-protein kinase erbB-2
Organism : Homo sapiens
P04626 ENSG00000141736
Protein: Epidermal growth factor receptor
Description: Receptor tyrosine-protein kinase erbB-3
Organism : Homo sapiens
P21860 ENSG00000065361
Protein: Epidermal growth factor receptor
Description: Receptor tyrosine-protein kinase erbB-4
Organism : Homo sapiens
Q15303 ENSG00000178568

Cross References

Resources Reference
ChEMBL CHEMBL4297661
DrugBank DB14944
FDA SRS H8768UL06V
Guide to Pharmacology 9409
PubChem 51038316
SureChEMBL SCHEMBL19733352
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