Compound Detail
CHEMBL4214751
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Basic Information
| ChEMBL ID | CHEMBL4214751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOBAAHRLFGFAOS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.3
MW (Da)
4.16
ALogP
10
HBA
4
HBD
159.8
PSA (Ų)
0.18
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl oligopeptidase family protein CHEMBL4295533 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.57 | 4.57 | 26900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl oligopeptidase family protein | IC50 | = | 770.0 | nM | 6.11 | Inhibition of Flavobacterium POP preincubated for 5 mins followed by Z-Gly-Pro-p... | 29429833 |
| HL-60 | IC50 | = | 2000.0 | nM | 5.7 | Antiproliferative activity against human HL60 cells | 29429833 |
| MCF7 | IC50 | = | 26900.0 | nM | 4.57 | Antiproliferative activity against human MCF7 cells | 29429833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29429833 | 10.1016/j.bmcl.2018.01.054 | MCF7 | 1 |
| 29429833 | 10.1016/j.bmcl.2018.01.054 | HL-60 | 1 |
| 29429833 | 10.1016/j.bmcl.2018.01.054 | Prolyl oligopeptidase family protein | 1 |
Data from ChEMBL 36 via Core Engine