Compound Detail
CHEMBL2204802
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Basic Information
| ChEMBL ID | CHEMBL2204802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTYBLKDBXIVZAV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
0.92
ALogP
7
HBA
4
HBD
154.6
PSA (Ų)
0.14
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bone morphogenetic protein 1 CHEMBL3898 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bone morphogenetic protein 1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of PCP after 1 hr by fluorescence assay | 23134659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23134659 | 10.1016/j.bmcl.2012.10.067 | 3T3-L1 | 1 |
| 23134659 | 10.1016/j.bmcl.2012.10.067 | Interstitial collagenase | 1 |
| 23134659 | 10.1016/j.bmcl.2012.10.067 | Matrix metalloproteinase-9 | 1 |
| 23134659 | 10.1016/j.bmcl.2012.10.067 | 72 kDa type IV collagenase | 1 |
| 23134659 | 10.1016/j.bmcl.2012.10.067 | Bone morphogenetic protein 1 | 1 |
Data from ChEMBL 36 via Core Engine