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Compound Detail

CHEMBL4067207

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CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL4067207
Phase Preclinical
Structure Type MOL
InChI Key ZLZDZRWASQWNSM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

505.6
MW (Da)
3.11
ALogP
7
HBA
3
HBD
139.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N5O5S
MW 505.56
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
28720328 10.1016/j.bmc.2017.07.015 Rattus norvegicus 1
28720328 10.1016/j.bmc.2017.07.015 Peroxisome proliferator-activated receptor gamma 1
28720328 10.1016/j.bmc.2017.07.015 Unchecked 1

Data from ChEMBL 36 via Core Engine