Compound Detail
CHEMBL380570
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 | CHEMBL380570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGGSFSLBLIQBAZ-OAHLLOKOSA-N |
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
5.09
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.65
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-1376 CHEMBL612258 | IC50 | 5.22 | 5.22 | 6040.0 | 1 |
| HCT-15 CHEMBL612263 | IC50 | 5.1 | 5.1 | 7970.0 | 1 |
| CTLL CHEMBL614565 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
| TF-1 CHEMBL612552 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 5.03 | 5.03 | 9380.0 | 1 |
| BT-20 CHEMBL613870 | IC50 | 4.94 | 4.94 | 11570.0 | 1 |
| KHOS/NP CHEMBL612598 | IC50 | 4.87 | 4.87 | 13420.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.82 | 4.82 | 15180.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-1376 | IC50 | = | 6040.0 | nM | 5.22 | Cytotoxicity against human bladder carcinoma, HT1376 cells | 16236503 |
| HCT-15 | IC50 | = | 7970.0 | nM | 5.1 | Cytotoxicity against human colon carcinoma, HCT15 cells | 16236503 |
| CTLL | IC50 | = | 8100.0 | nM | 5.09 | Cytotoxicity against murine cytotoxic T cells, CTLL2 | 16236503 |
| TF-1 | IC50 | = | 8400.0 | nM | 5.08 | Cytotoxicity against human erythroleukemia TF1 cells | 16236503 |
| A-375 | IC50 | = | 9380.0 | nM | 5.03 | Cytotoxicity against human melanoma, A375 cells | 16236503 |
| BT-20 | IC50 | = | 11570.0 | nM | 4.94 | Cytotoxicity against human breast carcinoma, BT20 cells | 16236503 |
| KHOS/NP | IC50 | = | 13420.0 | nM | 4.87 | Cytotoxicity against human osteosarcoma, KHOS-NP cells | 16236503 |
| A549 | IC50 | = | 15180.0 | nM | 4.82 | Cytotoxicity against human lung carcinoma, A549 cells | 16236503 |
| A-431 | IC50 | = | 20000.0 | nM | 4.7 | Cytotoxicity against human epidermoid carcinoma, A431 cells | 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 | 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 | BUD-8 | 1 |
| 16236503 | 10.1016/j.bmcl.2005.09.032 | HEK293 | 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