Compound Detail
CHEMBL2036344
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Basic Information
| ChEMBL ID | CHEMBL2036344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZLRTSDVMNMHBC-BGPOSVGRSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.26
ALogP
4
HBA
0
HBD
42.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.96 | 6.96 | 110.0 | 2 |
| PANC-1 CHEMBL614139 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 110.0 | nM | 6.96 | Cytotoxicity against human NB4 cells assessed as reduction in cell viability aft... | 24960549 |
| NON-PROTEIN TARGET | IC50 | = | 110.0 | nM | 6.96 | Cytotoxicity against human NB4-R1 cells assessed as reduction in cell viability ... | 24960549 |
| PANC-1 | IC50 | = | 510.0 | nM | 6.29 | Cytotoxicity against human PANC1 cells after 72 hrs by MTT assay | 22551677 |
| HT-29 | IC50 | = | 790.0 | nM | 6.1 | Cytotoxicity against human HT-29 cells after 72 hrs by MTT assay | 22551677 |
| PC-3 | IC50 | = | 960.0 | nM | 6.02 | Cytotoxicity against human PC3 cells after 72 hrs by MTT assay | 22551677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22551677 | 10.1016/j.ejmech.2012.04.005 | PC-3 | 3 |
| 22551677 | 10.1016/j.ejmech.2012.04.005 | PANC-1 | 2 |
| 22551677 | 10.1016/j.ejmech.2012.04.005 | HT-29 | 2 |
| 24960549 | 10.1021/jm401352a | NON-PROTEIN TARGET | 2 |
| 22551677 | 10.1016/j.ejmech.2012.04.005 | Unchecked | 1 |
| 22551677 | 10.1016/j.ejmech.2012.04.005 | Mitogen-activated protein kinase; ERK1/ERK2 | 1 |
Data from ChEMBL 36 via Core Engine