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Compound Detail

CHEMBL2027964

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COc1ccc2cc3[n+](cc2c1OCCCNC(=O)c1cc2ccccc2o1)CCc1cc2c(cc1-3)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2027964
Phase Preclinical
Structure Type MOL
InChI Key OADNPODGBVAEKS-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

523.6
MW (Da)
5.03
ALogP
6
HBA
1
HBD
83.0
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H27N2O6+
MW 523.57
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness 0.33

Data from ChEMBL 36 via Core Engine