Compound Detail
CHEMBL4249316
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O=C(CCCCCCn1cc(-c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)nn1)NOC1CCCCO1
Basic Information
| ChEMBL ID | CHEMBL4249316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNLALMQUHYWFTF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
564.7
MW (Da)
6.92
ALogP
8
HBA
2
HBD
103.2
PSA (Ų)
0.10
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-937 CHEMBL612794 | IC50 | 4.67 | 4.67 | 21390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-937 | IC50 | = | 21390.0 | nM | 4.67 | Antiproliferative activity against human U937 cells after 48 hrs by MTT assay | 29954683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29954683 | 10.1016/j.bmc.2018.06.016 | U-937 | 1 |
Data from ChEMBL 36 via Core Engine