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Compound Detail

CHEMBL3092979

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COc1ccc(S(=O)(=O)NC(=O)OCc2ccccc2)c(-c2ccc(Cn3cncn3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3092979
Phase Preclinical
Structure Type MOL
InChI Key KPFPDUABAHRHHO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

478.5
MW (Da)
3.62
ALogP
8
HBA
1
HBD
112.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O5S
MW 478.53
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
24200932 10.1016/j.bmc.2013.10.017 Unchecked 2

Data from ChEMBL 36 via Core Engine