Compound Detail
CHEMBL549916
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COc1cc2cc(CN3C[C@H]4C[C@@]45C3=CC(=O)c3ccccc35)[nH]c2c(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL549916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFLCODPILORSQA-SGANQWHYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.05
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 31000.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 1400.0 | nM | 5.85 | Cytotoxicity against mouse L1210 cells | 19639994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19639994 | 10.1021/jm9006214 | L1210 | 1 |
| 19639994 | 10.1021/jm9006214 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine