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Compound Detail

CHEMBL4595671

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COc1ccccc1OCCNC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595671
Phase Preclinical
Structure Type MOL
InChI Key KJSZFXLLGTVRIA-GJZUVCINSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
4.24
ALogP
5
HBA
1
HBD
49.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29NO4
MW 419.52
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.13

Data from ChEMBL 36 via Core Engine