Compound Detail
CHEMBL299942
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Basic Information
| ChEMBL ID | CHEMBL299942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMHXWDHVXMWULI-IXCJQBJRSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
429.6
MW (Da)
5.57
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.15
IC50 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ishikawa CHEMBL614649 | EC50 | 9.15 | 9.15 | 0.7 | 1 |
| Estrogen receptor CHEMBL2093866 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ishikawa | EC50 | = | 0.7 | nM | 9.15 | Stimulation of alkaline phosphatase activity in Ishikawa human endometrial adeno... | 11738564 |
| Estrogen receptor | IC50 | = | 3.1 | nM | 8.51 | Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine t... | 11738564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11738564 | 10.1016/s0960-894x(01)00679-5 | Ishikawa | 2 |
| 11738564 | 10.1016/s0960-894x(01)00679-5 | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine