Compound Detail
CHEMBL388064
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Basic Information
| ChEMBL ID | CHEMBL388064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOWCGRQAXBVBOF-BDABQLGYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
6.05
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.21 | 7.21 | 61.2 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 61.25 | nM | 7.21 | Inhibition of ATRA hydroxylase in Syrian golden hamster liver microsome assessed... | 15615521 |
| MDA-MB-231 | IC50 | = | 7000.0 | nM | 5.16 | Growth inhibition of human MDA-MB-231 cells after 6 days by MTT assay | 15615521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615521 | 10.1021/jm0401457 | Unchecked | 3 |
| 15615521 | 10.1021/jm0401457 | Cytochrome P450 26A1 | 3 |
| 15615521 | 10.1021/jm0401457 | Retinoic acid receptor alpha | 1 |
| 15615521 | 10.1021/jm0401457 | Retinoic acid receptor beta | 1 |
| 15615521 | 10.1021/jm0401457 | MDA-MB-231 | 1 |
| 15615521 | 10.1021/jm0401457 | T47D | 1 |
| 15615521 | 10.1021/jm0401457 | MCF7 | 1 |
| 15615521 | 10.1021/jm0401457 | LNCaP | 1 |
| 15615521 | 10.1021/jm0401457 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine