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Compound Detail

CHEMBL3092973

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CC(C)Cc1ccc(S(=O)(=O)NC(=O)OCc2ccccc2)c(-c2ccc(Cn3cncn3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3092973
Phase Preclinical
Structure Type MOL
InChI Key XFSQIQXOQGXMBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

504.6
MW (Da)
4.81
ALogP
7
HBA
1
HBD
103.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N4O4S
MW 504.61
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.00

Literature References

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

Data from ChEMBL 36 via Core Engine