PRALSETINIB

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1WPE73O1WV

Structure
InChI Key GBLBJPZSROAGMF-RWYJCYHVSA-N
Smile CO[C@]1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CC[C@H](c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1
InChI
InChI=1S/C27H32FN9O2/c1-16-11-22(33-23-12-17(2)35-36-23)34-25(31-16)19-7-9-27(39-4,10-8-19)26(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t18-,19-,27+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H32FN9O2
Molecular Weight 533.61
AlogP 4.2
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 135.53
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 39.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Coiled-coil domain-containing protein 6/Tyrosine-protein kinase receptor RET inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 4 D002289 FDA
Thyroid Neoplasms 3 D013964 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4582651
FDA SRS 1WPE73O1WV
Guide to Pharmacology 10033
PubChem 129073603
SureChEMBL SCHEMBL18789229
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