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Compound Detail

CHEMBL318972

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CC1(C)Oc2cccc(C(F)(F)F)c2[C@@H](N2CCCCC2=O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL318972
Phase Preclinical
Structure Type MOL
InChI Key RJMCYINTEZEYFM-CABCVRRESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
3.29
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.85
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 C17H20F3NO3
MW 343.35
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.36

Literature References

PubMed DOI Target Context # Activities
2231602 10.1021/jm00173a019 Cavia porcellus 2

Data from ChEMBL 36 via Core Engine