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Compound Detail

CHEMBL4086021

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CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2c(C)nc3ccc(Br)cc3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4086021
Phase Preclinical
Structure Type MOL
InChI Key VVEOCVKZHFFSQC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

550.4
MW (Da)
2.89
ALogP
7
HBA
3
HBD
139.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24BrN5O5S
MW 550.44
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.84

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