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Compound Detail

CHEMBL1183607

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CCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183607
Phase Preclinical
Structure Type MOL
InChI Key SYQPAVSGPRYEOO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

578.7
MW (Da)
4.16
ALogP
7
HBA
2
HBD
136.0
PSA (Ų)
0.27
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 C27H24N5O4S3+
MW 578.72
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -1.30

Data from ChEMBL 36 via Core Engine