Compound Detail
CHEMBL1081780
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Basic Information
| ChEMBL ID | CHEMBL1081780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBAMCRSJCGXQCQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
2.97
ALogP
4
HBA
2
HBD
84.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional peptidase and (3S)-lysyl hydroxylase JMJD7 CHEMBL4879430 | IC50 | 4.48 | 4.48 | 33160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional peptidase and (3S)-lysyl hydroxylase JMJD7 | IC50 | = | 33160.0 | nM | 4.48 | Inhibition of N-terminal His-tagged human JMJD7 (1 to 316 residues) expressed in... | 34048880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34547896 | 10.1021/acs.jmedchem.1c00823 | Transthyretin | 4 |
| 19879136 | 10.1016/j.bmcl.2009.09.120 | NON-PROTEIN TARGET | 1 |
| 34048880 | 10.1016/j.bmcl.2021.128139 | Bifunctional peptidase and (3S)-lysyl hydroxylase JMJD7 | 1 |
Data from ChEMBL 36 via Core Engine