Compound Detail
CHEMBL157509
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COc1ccc(CNc2nc(NCC(C)O)nc3c(NCc4ccc(OC)cc4)nc(NCC(C)O)nc23)cc1
Basic Information
| ChEMBL ID | CHEMBL157509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQUAVLQYYGKYCU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
548.6
MW (Da)
3.25
ALogP
12
HBA
6
HBD
158.6
PSA (Ų)
0.14
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of [3H]thymidine uptake in L1210 cells | 15369395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15369395 | 10.1021/jm040772w | L1210 | 5 |
| 10741559 | 10.1016/s0960-894x(00)00053-6 | L1210 | 3 |
Data from ChEMBL 36 via Core Engine