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Compound Detail

CHEMBL230400

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CCn1c2ccccc2c2cc(S(=O)(=O)Nc3ccc(C)nc3C)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230400
Phase Preclinical
Structure Type MOL
InChI Key HGVZTHLWZSTASP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
4.63
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N3O2S
MW 379.49
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
17197178 10.1016/j.bmcl.2006.12.034 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine