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Compound Detail

CHEMBL1934315

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Cc1nc(-c2ccc(Cl)cc2)sc1CNC(=O)C1CCCN(c2cccc(C(=O)O)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1934315
Phase Preclinical
Structure Type MOL
InChI Key RZYSIDFKRGZZJD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

470.0
MW (Da)
5.00
ALogP
5
HBA
2
HBD
82.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24ClN3O3S
MW 469.99
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.98

Literature References

PubMed DOI Target Context # Activities
22133631 10.1016/j.bmcl.2011.11.002 Peroxisome proliferator-activated receptor alpha 1
22133631 10.1016/j.bmcl.2011.11.002 Peroxisome proliferator-activated receptor gamma 1
22133631 10.1016/j.bmcl.2011.11.002 Peroxisome proliferator-activated receptor delta 1

Data from ChEMBL 36 via Core Engine