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Compound Detail

CHEMBL80685

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CCCCCCc1ccc(C2=NN(S(=O)(=O)c3ccc(I)cc3)CCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL80685
Phase Preclinical
Structure Type MOL
InChI Key ZPCNLEJUYBVANN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

510.4
MW (Da)
5.60
ALogP
3
HBA
0
HBD
49.7
PSA (Ų)
0.34
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27IN2O2S
MW 510.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.02

Literature References

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

Data from ChEMBL 36 via Core Engine