Compound Detail
CHEMBL191295
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 | CHEMBL191295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRHDGIYFJJUFKN-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
466.9
MW (Da)
5.04
ALogP
5
HBA
2
HBD
84.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 8.08 | 8.08 | 8.4 | 2 |
| P815 CHEMBL614226 | IC50 | 8.07 | 8.07 | 8.6 | 2 |
| K562 CHEMBL385 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 8.4 | nM | 8.08 | The concentration required for inhibiting the growth of the murine L1210 leukemi... | 15916443 |
| L1210 | IC50 | = | 8.4 | nM | 8.08 | Cytotoxicity against mouse L1210 cells after 3 days by MTT assay | 20579889 |
| P815 | IC50 | = | 8.6 | nM | 8.07 | The concentration required for inhibiting the growth of the murine P815 mastocyt... | 15916443 |
| P815 | IC50 | = | 8.6 | nM | 8.07 | Cytotoxicity against mouse P815 cells after 3 days | 16919946 |
| K562 | IC50 | = | 28.0 | nM | 7.55 | The concentration required for inhibiting the growth of the human K562 chronic m... | 15916443 |
| Unchecked | IC50 | = | 78.0 | nM | 7.11 | The concentration required for inhibiting the growth of the murine B16-F0 melano... | 15916443 |
| NON-PROTEIN TARGET | IC50 | = | 78.0 | nM | 7.11 | Cytotoxicity against mouse B16F0 cells after 3 days by MTT assay | 20579889 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15916443 | 10.1021/jm050179u | K562 | 1 |
| 15916443 | 10.1021/jm050179u | L1210 | 1 |
| 15916443 | 10.1021/jm050179u | Unchecked | 1 |
| 15916443 | 10.1021/jm050179u | P815 | 1 |
| 16919946 | 10.1016/j.bmcl.2006.08.005 | P815 | 1 |
| 20579889 | 10.1016/j.bmc.2010.05.078 | L1210 | 1 |
| 20579889 | 10.1016/j.bmc.2010.05.078 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine