TAK-243

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: V9GGV0YCDI

Structure
InChI Key KJDAGXLMHXUAGV-DGWLBADLSA-N
Smile NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O
InChI
InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20F3N5O5S2
Molecular Weight 519.53
AlogP 1.75
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 152.07
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 34.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297405
DrugBank DB15013
FDA SRS V9GGV0YCDI
PDB 61T
PubChem 71715374
SureChEMBL SCHEMBL15191794
CONTENTS