PEGCANTRATINIB

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Synonyms
Status
Molecule Category Free-form
UNII VG44NU1168

Structure

InChI Key SHWPFRVVBIKGAT-LYWBODIJSA-N
Smiles COCCN1C(=O)O[C@@]2(C[C@H]3O[C@]2(C)n2c4ccccc4c4c5c(c6c7ccccc7n3c6c42)C(=O)NC5)C1=O
InChI
InChI=1S/C30H24N4O6/c1-29-30(27(36)32(11-12-38-2)28(37)40-30)13-20(39-29)33-18-9-5-3-7-15(18)22-23-17(14-31-26(23)35)21-16-8-4-6-10-19(16)34(29)25(21)24(22)33/h3-10,20H,11-14H2,1-2H3,(H,31,35)/t20-,29+,30+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H24N4O6
Molecular Weight 536.54
AlogP 4.12
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 104.03
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 40.0

Pharmacology

Mechanism of Action Action Reference
Nerve growth factor receptor Trk-A inhibitor INHIBITOR PubMed Other

Target Conservation

Protein: Nerve growth factor receptor Trk-A
Description: High affinity nerve growth factor receptor
Organism : Homo sapiens
P04629 ENSG00000198400

Cross References

Resources Reference
ChEMBL CHEMBL4297182
FDA SRS VG44NU1168
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