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Compound Detail

CHEMBL1189562

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CN1C2CCC1CC(OC(=O)n1c(=O)[nH]c3cc(C(F)(F)F)ccc31)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189562
Phase Preclinical
Structure Type MOL
InChI Key KDOHMAAVWRYCES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.3
MW (Da)
2.96
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18F3N3O3
MW 369.34
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine