Compound Detail
CHEMBL5428614
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CNC(=O)[C@@H]1CC[C@@H](n2c(-c3ccc4cnccc4c3)nc3ccc(C(=O)NCc4ccccc4)cc32)C1
Basic Information
| ChEMBL ID | CHEMBL5428614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGAYXUYUFIVYBY-ZEQKJWHPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
5.27
ALogP
5
HBA
2
HBD
88.9
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bone morphogenetic protein receptor type-2 CHEMBL5467 | Ki | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bone morphogenetic protein receptor type-2 | Ki | = | 39.0 | nM | 7.41 | Inhibition of recombinant C-terminal 6His-tagged human BMPR2 (188 to 517 residue... | 36719862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36719862 | 10.1021/acs.jmedchem.2c01886 | Bone morphogenetic protein receptor type-2 | 1 |
Data from ChEMBL 36 via Core Engine