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Compound Detail

CHEMBL1739441

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O=C(O)CN[C@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1739441
Phase Preclinical
Structure Type MOL
InChI Key ZJWDRJAMCPEBDA-CBDXKTNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

518.6
MW (Da)
3.66
ALogP
6
HBA
3
HBD
91.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H38N2O5
MW 518.65
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 0.94

Data from ChEMBL 36 via Core Engine