Compound Detail
CHEMBL21249
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COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@@H](C(=O)NO)C(=O)C(N)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL21249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUMAINDBHIBBFU-CUPMVOCTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
702.7
MW (Da)
2.92
ALogP
11
HBA
4
HBD
195.8
PSA (Ų)
0.09
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bone morphogenetic protein 1 CHEMBL3898 | IC50 | 10.62 | 10.62 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bone morphogenetic protein 1 | IC50 | = | 0.024 | nM | 10.62 | Inhibitory activity against Procollagen C-Proteinase (PCP) | 11934595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11934595 | 10.1016/s0960-894x(02)00117-8 | Bone morphogenetic protein 1 | 1 |
Data from ChEMBL 36 via Core Engine