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Compound Detail

CHEMBL1182737

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CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182737
Phase Preclinical
Structure Type MOL
InChI Key VCETZICKGRMEAH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

592.8
MW (Da)
4.72
ALogP
7
HBA
2
HBD
136.0
PSA (Ų)
0.25
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 C28H26N5O4S3+
MW 592.75
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine