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Compound Detail

CHEMBL4651109

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C[N@+]12CC[C@H](CC1)[C@@H](OC(=O)Nc1ccccc1-c1ccccc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4651109
Phase Preclinical
Structure Type MOL
InChI Key KMKLFKWYYAVHDZ-KPDCDPCYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
4.14
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.85
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 C21H25N2O2+
MW 337.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine