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Compound Detail

CHEMBL4597956

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c1ccc(OCCNC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597956
Phase Preclinical
Structure Type MOL
InChI Key PQBBZRKWIUYSHV-ZCYQVOJMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
4.23
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27NO3
MW 389.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.05

Data from ChEMBL 36 via Core Engine