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Compound Detail

CHEMBL1181397

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CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1Cc1ccc(S(N)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181397
Phase Preclinical
Structure Type MOL
InChI Key BELDESANQAGPSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.6
MW (Da)
4.58
ALogP
2
HBA
1
HBD
64.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N2O2S+
MW 409.58
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine