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Compound Detail

CHEMBL2393184

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CN(C)c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)c3ccccc3)cc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2393184
Phase Preclinical
Structure Type MOL
InChI Key FVFMSJSTCMXMFH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.30
ALogP
5
HBA
2
HBD
91.4
PSA (Ų)
0.65
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 C21H22N4O3S
MW 410.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.00

Literature References

PubMed DOI Target Context # Activities
23668988 10.1016/j.bmcl.2013.04.040 A2780 2
23668988 10.1016/j.bmcl.2013.04.040 Liver microsomes 1
23668988 10.1016/j.bmcl.2013.04.040 Cytochrome P450 2C9 1
23668988 10.1016/j.bmcl.2013.04.040 Nicotinamide phosphoribosyltransferase 1

Data from ChEMBL 36 via Core Engine