Compound Detail
CHEMBL4215581
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Basic Information
| ChEMBL ID | CHEMBL4215581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMTOPUVETJLCPW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
335.3
MW (Da)
0.48
ALogP
6
HBA
3
HBD
121.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bone morphogenetic protein 1 CHEMBL3898 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bone morphogenetic protein 1 | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of recombinant human N-terminal 6His/flag-tagged BMP1 (121 to 721 res... | 30034610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30034610 | 10.1021/acsmedchemlett.8b00173 | Bone morphogenetic protein 1 | 1 |
| 30034610 | 10.1021/acsmedchemlett.8b00173 | Macrophage metalloelastase | 1 |
Data from ChEMBL 36 via Core Engine