Compound Detail
CHEMBL515974
ERGOLIDE Enter ChEMBL ID:
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C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3CCC(=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL515974 |
| Name | ERGOLIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCDZXDWMCKMXFF-MMLVVLEOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
2.04
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 7.16 | 6.285 | 70.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 70.0 | nM | 7.16 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21924800 |
| RAW264.7 | IC50 | = | 3900.0 | nM | 5.41 | Antiinflammatory action in mouse RAW264.7 cells assessed as inhibition of LPS-in... | 21894898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21894898 | 10.1021/np200319x | RAW264.7 | 2 |
| 21924800 | 10.1016/j.ejmech.2011.08.047 | RAW264.7 | 2 |
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine