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Compound Detail

CHEMBL2005398

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CCn1c(=O)c2ccccc2n2c(COc3ccc4c(C(F)(F)F)cc(=O)oc4c3)nnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2005398
Phase Preclinical
Structure Type MOL
InChI Key OZPYIIMVYCYURW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.4
MW (Da)
3.77
ALogP
8
HBA
0
HBD
91.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15F3N4O4
MW 456.38
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.42

Data from ChEMBL 36 via Core Engine