Compound Detail
CHEMBL2368669
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CC1=C(/N=C/N(C)C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)CC(N)C3OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2368669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFFGJEHOAYNIEL-KANHGSCLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
681.5
MW (Da)
-1.99
ALogP
16
HBA
6
HBD
293.3
PSA (Ų)
0.09
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.61 | 4.555 | 24800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 24800.0 | nM | 4.61 | Inhibitory concentration on parentral (sensitive) L1210 leukemia cells. | 1906107 |
| L1210 | IC50 | = | 31800.0 | nM | 4.5 | 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