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Compound Detail

CHEMBL1179884

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Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179884
Phase Preclinical
Structure Type MOL
InChI Key XMCXXTIMJCNNQJ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

544.5
MW (Da)
2.50
ALogP
5
HBA
3
HBD
153.3
PSA (Ų)
0.41
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 C21H21Cl2N4O5S2+
MW 544.46
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.78

Data from ChEMBL 36 via Core Engine