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Compound Detail

CHEMBL1186662

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CC(C)(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)[C@H](N)C(=O)N1CCC[C@H]1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186662
Phase Preclinical
Structure Type MOL
InChI Key RTJBUCJGWJKOCL-SMDDNHRTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
0.90
ALogP
7
HBA
1
HBD
121.1
PSA (Ų)
0.76
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 C18H24F3N7O2
MW 427.43
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -1.04

Data from ChEMBL 36 via Core Engine