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Compound Detail

CHEMBL468607

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CC(C)(C)c1ccc(C#Cc2cccc(-c3noc(=O)[nH]3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468607
Phase Preclinical
Structure Type MOL
InChI Key AADHLRRKRYIBSN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
3.73
ALogP
3
HBA
1
HBD
58.9
PSA (Ų)
0.70
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 C20H18N2O2
MW 318.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
19058965 10.1016/j.bmcl.2008.11.040 Retinoic acid receptor alpha 2
19058965 10.1016/j.bmcl.2008.11.040 Retinoic acid receptor beta 2
19058965 10.1016/j.bmcl.2008.11.040 Retinoic acid receptor gamma 2
19058965 10.1016/j.bmcl.2008.11.040 Retinoic acid receptor RXR-alpha 1
19058965 10.1016/j.bmcl.2008.11.040 Retinoic acid receptor RXR-beta 1
19058965 10.1016/j.bmcl.2008.11.040 Retinoic acid receptor RXR-gamma 1

Data from ChEMBL 36 via Core Engine