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Compound Detail

CHEMBL1183813

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Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183813
Phase Preclinical
Structure Type MOL
InChI Key MPSSDYUUYWPGCV-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

510.0
MW (Da)
1.84
ALogP
5
HBA
3
HBD
153.3
PSA (Ų)
0.43
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 C21H22ClN4O5S2+
MW 510.02
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine