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Compound Detail

CHEMBL2220367

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C[C@]12CC[C@H]([N+](C)(C)c3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H]([N+]3(C)CCOCC3)C[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220367
Phase Preclinical
Structure Type MOL
InChI Key CARCYENLLXMOQZ-BYJLRJPWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.8
MW (Da)
5.48
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H52N2O2+2
MW 496.78
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 1.16

Data from ChEMBL 36 via Core Engine