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Compound Detail

CHEMBL150691

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CC1=C(/C=C/C#Cc2ccc(C(=O)O)cn2)C(C)(C)CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL150691
Phase Preclinical
Structure Type MOL
InChI Key DSQMLDQMOIVLSY-WEVVVXLNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
4.21
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO2
MW 295.38
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.94

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00065-2 Retinoic acid receptor alpha 1
- 10.1016/0960-894X(95)00065-2 Retinoic acid receptor beta 1
- 10.1016/0960-894X(95)00065-2 Retinoic acid receptor gamma 1
- 10.1016/0960-894X(95)00065-2 Retinoic acid receptor RXR-alpha 1
- 10.1016/0960-894X(95)00065-2 Mus musculus 1

Data from ChEMBL 36 via Core Engine