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Compound Detail

CHEMBL2110182

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Cc1cc2c(cc1/C(=N\OC(C)(C)C)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2110182
Phase Preclinical
Structure Type MOL
InChI Key IRYDQALSBKMVMT-NFFVHWSESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

421.6
MW (Da)
6.61
ALogP
3
HBA
1
HBD
58.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H35NO3
MW 421.58
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.23

Literature References

PubMed DOI Target Context # Activities
10052980 10.1021/jm980621r Retinoic acid receptor RXR-alpha 2
10052980 10.1021/jm980621r Retinoic acid receptor RXR-beta 2
10052980 10.1021/jm980621r Retinoic acid receptor RXR-gamma 2

Data from ChEMBL 36 via Core Engine