Compound Detail
CHEMBL5409160
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Basic Information
| ChEMBL ID | CHEMBL5409160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDXVLJROIAZLBT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
2.59
ALogP
8
HBA
2
HBD
113.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bone morphogenetic protein receptor type-2 CHEMBL5467 | Ki | 6.93 | 6.93 | 118.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1 | hr | Mus musculus |
| T1/2 | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bone morphogenetic protein receptor type-2 | Ki | = | 118.0 | nM | 6.93 | 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 | ADMET | 4 |
| 36719862 | 10.1021/acs.jmedchem.2c01886 | Bone morphogenetic protein receptor type-2 | 1 |
Data from ChEMBL 36 via Core Engine