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Compound Detail

CHEMBL3092969

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Cc1ccc(C(=O)NS(=O)(=O)c2ccc(CC(C)C)cc2-c2ccc(Cn3cncn3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3092969
Phase Preclinical
Structure Type MOL
InChI Key ZJUNATIBEQDFTR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

488.6
MW (Da)
4.62
ALogP
6
HBA
1
HBD
94.0
PSA (Ų)
0.39
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 C27H28N4O3S
MW 488.61
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.20

Literature References

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

Data from ChEMBL 36 via Core Engine