Compound Detail
CHEMBL145826
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Basic Information
| ChEMBL ID | CHEMBL145826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HELOOGGYOBJYPP-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
3.11
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.14 | 8.12 | 7.2 | 2 |
| OVCAR-3 CHEMBL614213 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| UACC-375 CHEMBL614127 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| L1210 CHEMBL386 | IC50 | 6.94 | 6.855 | 114.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 7.22 | nM | 8.14 | Cytotoxicity against human melanoma cells | - |
| NON-PROTEIN TARGET | IC50 | = | 7.89 | nM | 8.1 | Cytotoxicity against human Ovarian cancer cells | - |
| OVCAR-3 | IC50 | = | 13.0 | nM | 7.89 | Anti-tumor activity against human OVCAR-3 ovarian cancer cell lines by using MTT... | 7699715 |
| UACC-375 | IC50 | = | 61.0 | nM | 7.21 | Anti-tumor activity against human UACC375 melanoma cell lines by using MTT assay | 7699715 |
| L1210 | IC50 | = | 114.0 | nM | 6.94 | Anti-tumor activity against murine L1210 sensitive cell line by using MTT assay | 7699715 |
| L1210 | IC50 | = | 170.0 | nM | 6.77 | Antitumor activity against murine L1210 resistant cell line by using MTT assay | 7699715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0554-z | NON-PROTEIN TARGET | 4 |
| 7699715 | 10.1021/jm00006a018 | L1210 | 2 |
| 7699715 | 10.1021/jm00006a018 | ADMET | 2 |
| 8960558 | 10.1021/jm960623g | Melanoma cell | 1 |
| 8960558 | 10.1021/jm960623g | Ovarian carcinoma cell | 1 |
| 8960558 | 10.1021/jm960623g | L1210 | 1 |
| 7699715 | 10.1021/jm00006a018 | UACC-375 | 1 |
| 7699715 | 10.1021/jm00006a018 | OVCAR-3 | 1 |
Data from ChEMBL 36 via Core Engine