Compound Detail
CHEMBL611830
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CC1=C(N)C(=O)c2c(COC(N)=O)c3n(c2C1=O)CC(N)C3OP(=O)(O)OC[C@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL611830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYSNZOGAKTZNFA-NLYDPZQRSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
625.5
MW (Da)
-2.33
ALogP
17
HBA
7
HBD
309.8
PSA (Ų)
0.15
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 7.96 | 6.935 | 11.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 11.0 | nM | 7.96 | Inhibitory concentration on parentral (sensitive) L1210 leukemia cells. | 1906107 |
| L1210 | IC50 | = | 115.0 | nM | 6.94 | Inhibitory concentration on multidrug-resistant L1210 leukemia cells. | 1906107 |
| L1210 | IC50 | = | 350.0 | nM | 6.46 | Inhibitory concentration on parentral (sensitive) L1210 leukemia cells. | 1906107 |
| L1210 | IC50 | = | 420.0 | nM | 6.38 | 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