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Compound Detail

CHEMBL5095586

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COc1cc2c(c3c1OCOC3)C[C@H]1c3c(cc4c(c3OC)OCO4)CC[N+]1=C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095586
Phase Preclinical
Structure Type MOL
InChI Key MBUPJYSOFAOZNS-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
2.58
ALogP
6
HBA
0
HBD
58.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22NO6+
MW 396.42
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.29

Data from ChEMBL 36 via Core Engine