Compound Detail
CHEMBL381672
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 | CHEMBL381672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRHGIOVXTVCXSF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
4.02
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CTLL CHEMBL614565 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CTLL | IC50 | = | 17500.0 | nM | 4.76 | Cytotoxicity against murine cytotoxic T cells, CTLL2 | 16236503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16236503 | 10.1016/j.bmcl.2005.09.032 | Rattus norvegicus | 4 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | BUD-8 | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | HEK293 | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | HepG2 | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | CTLL | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | MCF7 | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | MES-SA/Dx5 | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | MES-SA | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | Daudi | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | Ramos | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | TF-1 | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | PA-1 | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | HT-1376 | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | HCT-15 | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | A549 | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | A-375 | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | A-431 | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | KHOS/NP | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | MAT-Ly-Lu | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | BT-20 | 1 |
Data from ChEMBL 36 via Core Engine