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Compound Detail

CHEMBL3303012

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

Basic Information

ChEMBL ID CHEMBL3303012
Phase Preclinical
Structure Type MOL
InChI Key SPPAUICKSNQRNC-LRLHPVAZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
1.28
ALogP
5
HBA
3
HBD
79.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N2O3
MW 342.44
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.67

Data from ChEMBL 36 via Core Engine