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Compound Detail

CHEMBL1185271

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CCC1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C[n+]1ccccc1)OCCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185271
Phase Preclinical
Structure Type MOL
InChI Key COUAMWLLLGIQNM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

512.5
MW (Da)
2.58
ALogP
8
HBA
1
HBD
103.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H26N3O6+
MW 512.54
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness 0.60

Data from ChEMBL 36 via Core Engine