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Compound Detail

CHEMBL80934

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CC1(C)CC(=O)Nc2ccc(C#Cc3ccc(C(=O)O)cc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL80934
Phase Preclinical
Structure Type MOL
InChI Key MHPMVINNZFKVDI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
3.40
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17NO3
MW 319.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.08

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00435-6 Retinoic acid receptor alpha 2
- 10.1016/S0960-894X(97)00435-6 Retinoic acid receptor beta 2
- 10.1016/S0960-894X(97)00435-6 Retinoic acid receptor gamma 2

Data from ChEMBL 36 via Core Engine