Compound Detail
CHEMBL3350473
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Basic Information
| ChEMBL ID | CHEMBL3350473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNHZZRIKMUCTHU-ZWXVIAAOSA-N |
| Parent Compound | CHEMBL41917 |
| Active Moiety | CHEMBL41917 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
-0.93
ALogP
8
HBA
4
HBD
163.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 5.16 | 4.855 | 6870.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 6870.0 | nM | 5.16 | Inhibitory concentration on multidrug-resistant L1210 leukemia cells. | 1906107 |
| L1210 | IC50 | = | 28100.0 | nM | 4.55 | Inhibitory concentration on parentral (sensitive) L1210 leukemia cells. | 1906107 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296022 | 10.1021/jm00163a042 | L1210 | 5 |
| 2296022 | 10.1021/jm00163a042 | Nucleic Acid | 5 |
| 1906107 | 10.1021/jm00111a004 | L1210 | 2 |
| 3397995 | 10.1021/jm00403a016 | L1210 | 2 |
| 1906107 | 10.1021/jm00111a004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine