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Compound Detail

CHEMBL1183820

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Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183820
Phase Preclinical
Structure Type MOL
InChI Key DEOITIKIOZSSRR-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

551.7
MW (Da)
3.34
ALogP
5
HBA
3
HBD
139.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27N4O5S2+
MW 551.67
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine