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Compound Detail

CHEMBL4650683

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C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650683
Phase Preclinical
Structure Type MOL
InChI Key KBNPGVPUYYZVTB-VUKQLWBESA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.9
MW (Da)
5.07
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.72
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClF2N2O2+
MW 407.87
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine