Compound Detail
CHEMBL180716
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OCCN(CCO)c1nc(N2CCc3ccccc3C2)c2nc(N(CCO)CCO)nc(N3CCc4ccccc4C3)c2n1
Basic Information
| ChEMBL ID | CHEMBL180716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSODIEJFYRNJPP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
600.7
MW (Da)
1.13
ALogP
12
HBA
4
HBD
145.4
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 720.0 | nM | 6.14 | Inhibition of [3H]thymidine uptake in L1210 cells | 15369395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15369395 | 10.1021/jm040772w | L1210 | 5 |
Data from ChEMBL 36 via Core Engine