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Compound Detail

CHEMBL1778838

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CC(C)c1oc(-c2c(Cl)cccc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1778838
Phase Preclinical
Structure Type MOL
InChI Key JKHABVUUTCGBBW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

503.4
MW (Da)
6.94
ALogP
6
HBA
1
HBD
98.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24Cl2N2O5
MW 503.38
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
21515063 10.1016/j.bmc.2011.03.053 Peroxisome proliferator-activated receptor alpha 1
21515063 10.1016/j.bmc.2011.03.053 Peroxisome proliferator-activated receptor gamma 1
21515063 10.1016/j.bmc.2011.03.053 Peroxisome proliferator-activated receptor delta 1

Data from ChEMBL 36 via Core Engine