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Compound Detail

CHEMBL1185088

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COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CC[N+]1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185088
Phase Preclinical
Structure Type MOL
InChI Key AQNSTJUVKAUYLL-AWEZNQCLSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.01
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.82
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 C20H24NO4+
MW 342.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 2.23

Data from ChEMBL 36 via Core Engine