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Compound Detail

CHEMBL2221043

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Oc1cc2c(cc1O)[C@H]1C[C@@H](c3ccc(C(F)(F)F)cc3)CN[C@@H]1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2221043
Phase Preclinical
Structure Type MOL
InChI Key FDKQJEHYQUMGMK-KBRIMQKVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
4.29
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.66
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 C20H20F3NO2
MW 363.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.67

Data from ChEMBL 36 via Core Engine