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Compound Detail

CHEMBL78695

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CC(C)Cc1ccc(C2=NN(S(=O)(=O)c3ccc(I)cc3)CCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL78695
Phase Preclinical
Structure Type MOL
InChI Key ABTGWOBJCGQBFC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

482.4
MW (Da)
4.68
ALogP
3
HBA
0
HBD
49.7
PSA (Ų)
0.58
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 C20H23IN2O2S
MW 482.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
10395481 10.1021/jm9805889 GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine