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Compound Detail

CHEMBL4302254

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CCc1ccc2c(c1)S/C(=c1/s/c(=C\c3scc[n+]3Cc3ccccc3C(=O)OC)n(CC)c1=O)N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302254
Phase Preclinical
Structure Type MOL
InChI Key XELAETFPAONBEW-IMVLJIQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

550.8
MW (Da)
3.81
ALogP
8
HBA
0
HBD
55.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28N3O3S3+
MW 550.75
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.89

Data from ChEMBL 36 via Core Engine