Compound Detail
CHEMBL149998
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Basic Information
| ChEMBL ID | CHEMBL149998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZDPWEPANOKRPS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.1
MW (Da)
0.64
ALogP
2
HBA
4
HBD
115.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphoglycerate kinase CHEMBL2096677 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphoglycerate kinase | IC50 | = | 16000.0 | nM | 4.8 | Inhibitory activity against 3-phosphoglycerate kinase. | 9871609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871609 | 10.1016/s0960-894x(98)00059-6 | No relevant target | 2 |
| 9871609 | 10.1016/s0960-894x(98)00059-6 | Phosphoglycerate kinase | 1 |
Data from ChEMBL 36 via Core Engine