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Compound Detail

CHEMBL4301220

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CCn1c(=O)/c(=C2\Sc3cc(SC)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301220
Phase Preclinical
Structure Type MOL
InChI Key DCKLSMGUNPMTQP-WJTDDFOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

545.2
MW (Da)
4.84
ALogP
7
HBA
0
HBD
29.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23ClN3OS4+
MW 545.20
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.34

Data from ChEMBL 36 via Core Engine