Compound Detail
CHEMBL2368670
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CC1=C(Nc2ccc(O)cc2)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 | CHEMBL2368670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDDPACSKXXVCGC-GYPHQJCWSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
718.6
MW (Da)
-0.76
ALogP
17
HBA
8
HBD
310.0
PSA (Ų)
0.09
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 5.72 | 5.155 | 1920.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 1920.0 | nM | 5.72 | Inhibitory concentration on parentral (sensitive) L1210 leukemia cells. | 1906107 |
| L1210 | IC50 | = | 3760.0 | nM | 5.42 | Inhibitory concentration on parentral (sensitive) L1210 leukemia cells. | 1906107 |
| L1210 | IC50 | = | 9740.0 | nM | 5.01 | Inhibitory concentration on multidrug-resistant L1210 leukemia cells. | 1906107 |
| L1210 | IC50 | = | 33600.0 | nM | 4.47 | Inhibitory concentration on multidrug-resistant L1210 leukemia cells. | 1906107 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1906107 | 10.1021/jm00111a004 | L1210 | 4 |
| 1906107 | 10.1021/jm00111a004 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine