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Compound Detail

CHEMBL1186195

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COc1ccccc1N1CCC(CNC(=O)Nc2c(C(C)C)cc(N)cc2C(C)C)(c2cccc(C(F)(F)F)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186195
Phase Preclinical
Structure Type MOL
InChI Key KYBJAOXSEYKAOR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

582.7
MW (Da)
7.90
ALogP
4
HBA
3
HBD
79.6
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H41F3N4O2
MW 582.71
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -1.11

Data from ChEMBL 36 via Core Engine