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Compound Detail

CHEMBL4438636

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CCC/C(=C\c1cc(OCc2ccc3nc(C(F)(F)F)cc(OC)c3c2)ccc1OCC1CCNCC1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4438636
Phase Preclinical
Structure Type MOL
InChI Key BRWPXYFGQABZOK-KGENOOAVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

558.6
MW (Da)
6.49
ALogP
6
HBA
2
HBD
89.9
PSA (Ų)
0.26
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33F3N2O5
MW 558.60
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
31548084 10.1016/j.bmc.2019.115082 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine