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Compound Detail

CHEMBL4650736

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C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1cccc(Cl)c1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650736
Phase Preclinical
Structure Type MOL
InChI Key PRPBOUUIRMITJF-WDHIMTGQSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.9
MW (Da)
4.93
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23ClFN2O2+
MW 389.88
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.65

Data from ChEMBL 36 via Core Engine