Compound Detail
CHEMBL294385
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CO[C@@]12C(COC(N)=O)C3=C(C(=O)C(C)=C(/N=C/N(C)C)C3=O)N1CC1NC12
Basic Information
| ChEMBL ID | CHEMBL294385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZMFNIVNLYRDDE-LRSMLGPZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
-1.02
ALogP
8
HBA
2
HBD
136.5
PSA (Ų)
0.26
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 7.29 | 6.74 | 51.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 51.0 | nM | 7.29 | Inhibitory concentration on parentral (sensitive) L1210 leukemia cells. | 1906107 |
| L1210 | IC50 | = | 640.0 | nM | 6.19 | Inhibitory concentration on multidrug-resistant L1210 leukemia cells. | 1906107 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1906107 | 10.1021/jm00111a004 | L1210 | 2 |
| 1906107 | 10.1021/jm00111a004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine