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Compound Detail

CHEMBL1179853

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CCc1cc(-c2ccccc2)cc(CC)[n+]1CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179853
Phase Preclinical
Structure Type MOL
InChI Key FTDINSBLRMXTEW-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

587.7
MW (Da)
2.70
ALogP
8
HBA
3
HBD
165.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N6O5S3+
MW 587.73
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.48

Data from ChEMBL 36 via Core Engine