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Compound Detail

CHEMBL1181727

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COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181727
Phase Preclinical
Structure Type MOL
InChI Key KXIKZCTVXBQIAI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
3.03
ALogP
7
HBA
0
HBD
72.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H26NO7+
MW 428.46
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 1.36

Data from ChEMBL 36 via Core Engine