Compound Detail
CHEMBL5275618
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Basic Information
| ChEMBL ID | CHEMBL5275618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAVIEAVLIPLDKB-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
4.20
ALogP
6
HBA
1
HBD
53.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.08 | 4.7 | 8390.0 | 2 |
| U-251 CHEMBL615022 | IC50 | 4.91 | 4.91 | 12270.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.83 | 4.83 | 14620.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.67 | 4.67 | 21420.0 | 1 |
| JIMT-1 CHEMBL4296443 | IC50 | 4.66 | 4.66 | 21850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8390.0 | nM | 5.08 | Antiproliferative activity against human U87 cells assessed as inhibition of cel... | 36332551 |
| U-251 | IC50 | = | 12270.0 | nM | 4.91 | Cytotoxicity against human U251 cells assessed as inhibition of cell growth meas... | 36332551 |
| MDA-MB-231 | IC50 | = | 14620.0 | nM | 4.83 | Antiproliferative activity against human MDA-MB-231 cells assessed as cell growt... | 36332551 |
| SK-OV-3 | IC50 | = | 21420.0 | nM | 4.67 | Antiproliferative activity against human SK-OV-3 cells assessed as cell growth i... | 36332551 |
| JIMT-1 | IC50 | = | 21850.0 | nM | 4.66 | Antiproliferative activity against human JIMT-1 cells assessed as cell growth in... | 36332551 |
| Unchecked | IC50 | = | 48260.0 | nM | 4.32 | Antiproliferative activity against human HLF1 cells assessed as cell growth inhi... | 36332551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36332551 | 10.1016/j.ejmech.2022.114874 | Unchecked | 2 |
| 36332551 | 10.1016/j.ejmech.2022.114874 | U-251 | 1 |
| 36332551 | 10.1016/j.ejmech.2022.114874 | MDA-MB-231 | 1 |
| 36332551 | 10.1016/j.ejmech.2022.114874 | JIMT-1 | 1 |
| 36332551 | 10.1016/j.ejmech.2022.114874 | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine