PEGCANTRATINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: VG44NU1168

Structure
InChI Key SHWPFRVVBIKGAT-LYWBODIJSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 2 D011565 ClinicalTrials
Dermatitis, Atopic 2 D003876 ClinicalTrials
Psoriasis 2 D011565 ClinicalTrials
Neuralgia 1 D009437 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297182
FDA SRS VG44NU1168
CONTENTS