Compound Detail
CHEMBL313688
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 | CHEMBL313688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYMYMRJMKNLHSF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
3.20
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 50000.0 | nM | 4.3 | Cytotoxicity against mouse L1210 cells after 24 hrs | 3404149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3404149 | 10.1021/np50057a011 | Unchecked | 4 |
| 3404149 | 10.1021/np50057a011 | L1210 | 2 |
| 1875350 | 10.1021/jm00112a036 | A549 | 1 |
| 1875350 | 10.1021/jm00112a036 | MCF7 | 1 |
| 1875350 | 10.1021/jm00112a036 | HT-29 | 1 |
| 1875350 | 10.1021/jm00112a036 | SK-MEL-5 | 1 |
| 1875350 | 10.1021/jm00112a036 | MLM | 1 |
| 3404149 | 10.1021/np50057a011 | P388 | 1 |
Data from ChEMBL 36 via Core Engine