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Compound Detail

CHEMBL1185560

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Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185560
Phase Preclinical
Structure Type MOL
InChI Key LMUVOZSUCAWFDN-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.6
MW (Da)
3.15
ALogP
5
HBA
2
HBD
106.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N4O3S2+
MW 453.57
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.46

Data from ChEMBL 36 via Core Engine