TAK-385

Ligand id: 5586

Name: TAK-385

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 157.47
Molecular weight 623.18
XLogP 4.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[4-[1-[(2,6-difluorophenyl)methyl]-5-(dimethylaminomethyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[4,5-e]pyrimidin-6-yl]phenyl]-3-methoxyurea
Synonyms
TAK 385
Database Links
CAS Registry No. 737789-87-6 (source: Scifinder)
ChEMBL Ligand CHEMBL1800159
PubChem CID 10348973
Search Google for chemical match using the InChIKey AOMXMOCNKJTRQP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AOMXMOCNKJTRQP
Search UniChem for chemical match using the InChIKey AOMXMOCNKJTRQP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AOMXMOCNKJTRQP