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Compound Detail

CHEMBL2028000

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COc1ccc2cc3[n+](cc2c1OCCOc1ccc(-c2nc4ccccc4s2)cc1)CCc1cc2c(cc1-3)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2028000
Phase Preclinical
Structure Type MOL
InChI Key ATHHBZPCKLUBMD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

575.7
MW (Da)
6.82
ALogP
7
HBA
0
HBD
62.9
PSA (Ų)
0.15
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 C34H27N2O5S+
MW 575.67
Aromatic Rings 6
Heavy Atoms 42
NP-Likeness -0.08

Data from ChEMBL 36 via Core Engine