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Compound Detail

CHEMBL608833

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CCCN(Cc1ccc(S(=O)(=O)NCc2ccccc2C)cc1)CC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL608833
Phase Preclinical
Structure Type MOL
InChI Key ZXBIDGKWGBFABB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.6
MW (Da)
4.10
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N2O2S
MW 386.56
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.84

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18211009 10.1021/jm701130z Cytochrome P450 2C9 1

Data from ChEMBL 36 via Core Engine