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Compound Detail

CHEMBL3318411

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CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(C(=O)O)cc3)cs2)n1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318411
Phase Preclinical
Structure Type MOL
InChI Key LWPNKRYFNXAWGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

507.0
MW (Da)
6.21
ALogP
8
HBA
3
HBD
125.3
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClN4O4S2
MW 507.04
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
25037914 10.1016/j.bmcl.2014.06.077 Polyunsaturated fatty acid 5-lipoxygenase 2
25037914 10.1016/j.bmcl.2014.06.077 Prostaglandin E synthase 1
25037914 10.1016/j.bmcl.2014.06.077 Peroxisome proliferator-activated receptor alpha 1
25037914 10.1016/j.bmcl.2014.06.077 Peroxisome proliferator-activated receptor delta 1
25037914 10.1016/j.bmcl.2014.06.077 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine