Compound Detail
CHEMBL200800
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Basic Information
| ChEMBL ID | CHEMBL200800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUBHRFHBTWGISU-LDADJPATSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.17
ALogP
5
HBA
2
HBD
81.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MIA PaCa-2 CHEMBL614725 | IC50 | 4.92 | 4.92 | 12000.0 | 2 |
| M-phase inducer phosphatase 3 CHEMBL2378 | IC50 | 4.77 | 4.77 | 17000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MIA PaCa-2 | IC50 | = | 12000.0 | nM | 4.92 | Antiproliferative activity against human pancreatic carcinoma Mia PaCa2 cell lin... | 16216500 |
| MIA PaCa-2 | IC50 | = | 12000.0 | nM | 4.92 | Antiproliferative activity against human pancreatic carcinoma Mia PaCa2 cell lin... | 16216500 |
| M-phase inducer phosphatase 3 | IC50 | = | 17000.0 | nM | 4.77 | Inhibitory activity against recombinant CDC25C | 16216500 |
| M-phase inducer phosphatase 3 | IC50 | = | 17000.0 | nM | 4.77 | Inhibitory activity against recombinant CDC25C | 16216500 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16216500 | 10.1016/j.bmcl.2005.09.030 | M-phase inducer phosphatase 3 | 2 |
| 16216500 | 10.1016/j.bmcl.2005.09.030 | MIA PaCa-2 | 2 |
| 16216500 | 10.1016/j.bmcl.2005.09.030 | DU-145 | 2 |
Data from ChEMBL 36 via Core Engine