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Compound Detail

CHEMBL1962756

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COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962756
Phase Preclinical
Structure Type MOL
InChI Key LGNZQRMYJQAMTQ-QFQXNSOFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.6
MW (Da)
4.42
ALogP
4
HBA
2
HBD
50.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31NO3
MW 417.55
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.45

Data from ChEMBL 36 via Core Engine