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Compound Detail

CHEMBL1184537

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NS(=O)(=O)c1ccc(CC[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184537
Phase Preclinical
Structure Type MOL
InChI Key PORBWRYRABBHDX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
5.87
ALogP
2
HBA
1
HBD
64.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H27N2O2S+
MW 491.64
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine