Compound Detail
CHEMBL185635
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COc1ccc(CN(C)c2nc(OCCCO)nc3c(N(C)Cc4ccc(OC)c(OC)c4)nc(OCCCO)nc23)cc1OC
Basic Information
| ChEMBL ID | CHEMBL185635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLCBAPORWWKQQY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
638.7
MW (Da)
3.25
ALogP
14
HBA
2
HBD
153.9
PSA (Ų)
0.15
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 750.0 | nM | 6.12 | Inhibition of [3H]thymidine uptake in L1210 cells | 15369395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15369395 | 10.1021/jm040772w | L1210 | 2 |
Data from ChEMBL 36 via Core Engine