PEGCANTRATINIB


Synonyms	CT-327 CT327 Ct-327 Pegcantratinib SNA-120 Sna-120
Status
Molecule Category	UNKNOWN
UNII	VG44NU1168


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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

Bioactivity

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


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

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).