Compound Detail
CHEMBL78645
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL78645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRCVTUPGHAXZLB-SKDRFNHKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
235.2
MW (Da)
0.49
ALogP
4
HBA
1
HBD
81.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 4.69 | 4.69 | 20500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 20500.0 | nM | 4.69 | The compound was evaluated for the cytotoxicity against human A2780 (ovarian) tu... | 10698444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10698444 | 10.1016/s0960-894x(99)00663-0 | A2780 | 1 |
| 10698444 | 10.1016/s0960-894x(99)00663-0 | A2780cisR | 1 |
| 10698444 | 10.1016/s0960-894x(99)00663-0 | CH1 | 1 |
| 10698444 | 10.1016/s0960-894x(99)00663-0 | SK-OV-3 | 1 |
| 10698444 | 10.1016/s0960-894x(99)00663-0 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine