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Compound Detail

CHEMBL22369

AROTINOID
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CCOC(=O)c1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL22369
Name AROTINOID
Phase Preclinical
Structure Type MOL
InChI Key NULUAKSYPPSJCO-FBMGVBCBSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
6.77
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.43
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 C26H32O2
MW 376.54
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.19

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
6754935 10.1021/jm00353a001 Mus musculus 2
7120285 10.1021/jm00350a014 S91 2
6754935 10.1021/jm00353a001 ADMET 1
- 10.1016/S0960-894X(97)00435-6 Ornithine decarboxylase 1
19216007 10.1016/j.ejmech.2009.01.001 Unchecked 1

Data from ChEMBL 36 via Core Engine