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Compound Detail

CHEMBL4595447

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COc1ccccc1OCCNCC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595447
Phase Preclinical
Structure Type MOL
InChI Key MOASQPGFCMBGLO-KCWPFWIISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.6
MW (Da)
4.63
ALogP
5
HBA
1
HBD
49.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31NO4
MW 433.55
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.11

Data from ChEMBL 36 via Core Engine