Compound Detail
CHEMBL422519
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Basic Information
| ChEMBL ID | CHEMBL422519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLAQCEWDRXZBNO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1185587 |
| Active Moiety | CHEMBL1185587 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.5
MW (Da)
1.51
ALogP
4
HBA
5
HBD
91.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.54 | 6.1 | 290.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 290.0 | nM | 6.54 | Compound was tested for inhibitory concentration required to inhibit 50% of [14C... | 9871574 |
| L1210 | IC50 | = | 2200.0 | nM | 5.66 | Cytotoxic effect on L1210 leukemia cells. | 9871574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871574 | 10.1016/s0960-894x(98)00086-9 | L1210 | 2 |
| 9871574 | 10.1016/s0960-894x(98)00086-9 | Amine oxidase [copper-containing] 3 | 1 |
| 9871574 | 10.1016/s0960-894x(98)00086-9 | Phosphodiesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine