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Compound Detail

CHEMBL4595593

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CCCCCCCCCCCC/C=C/c1ccc(CO[C@H]2CN[C@H](CO)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595593
Phase Preclinical
Structure Type MOL
InChI Key IGWIJIQDEULHIH-PYTLXRGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.6
MW (Da)
6.25
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H43NO2
MW 401.64
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.99

Data from ChEMBL 36 via Core Engine