Compound Detail
CHEMBL5219830
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5219830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVGSKZXXLKUEIO-MRXNPFEDSA-N |
2
Targets
3
Activities
2
Assay Types
13
PK Parameters
9
Publications
0
Known Names
Molecular Properties
494.9
MW (Da)
2.63
ALogP
9
HBA
2
HBD
111.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.48
Kd 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenylate cyclase type 10 CHEMBL5854 | Kd | 8.85 | 8.85 | 1.4 | 1 |
| Adenylate cyclase type 10 CHEMBL5854 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Adenylate cyclase type 10 CHEMBL5169208 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 386045.4 | ng.hr.mL-1 | Mus musculus |
| AUC | 202921.3 | ng.hr.mL-1 | Mus musculus |
| AUC | 2702317.8 | ng.hr.mL-1 | Mus musculus |
| CL | 94.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 2500000.0 | nM | Mus musculus |
| Cmax | 450000.0 | nM | Mus musculus |
| Cmax | 6100000.0 | nM | Mus musculus |
| F | 11.0 | % | Mus musculus |
| Fu | 0.0013 | - | Mus musculus |
| Ka | 2.4 | 10^5/M/s | Homo sapiens |
| T1/2 | 0.93 | hr | Mus musculus |
| Tmax | 0.25 | hr | Mus musculus |
| Tmax | 0.25 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenylate cyclase type 10 | Kd | = | 1.4 | nM | 8.85 | Binding affinity to human recombinant His-tagged ADCY10 assessed as dissociation... | 36346696 |
| Adenylate cyclase type 10 | IC50 | = | 3.33 | nM | 8.48 | Inhibition of human ADCY10 assessed as cAMP accumulation preincubated for 15 min... | 36346696 |
| Adenylate cyclase type 10 | IC50 | = | 5.5 | nM | 8.26 | Inhibition of rat ADCY10 overexpressed in rat 4-4 cells assessed as IBMX stimula... | 36346696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36346696 | 10.1021/acs.jmedchem.2c01133 | ADMET | 13 |
| 36346696 | 10.1021/acs.jmedchem.2c01133 | Adenylate cyclase type 10 | 7 |
| 36346696 | 10.1021/acs.jmedchem.2c01133 | No relevant target | 3 |
| 36346696 | 10.1021/acs.jmedchem.2c01133 | Adenylate cyclase type 9 | 1 |
| 36346696 | 10.1021/acs.jmedchem.2c01133 | Unchecked | 1 |
| 36346696 | 10.1021/acs.jmedchem.2c01133 | Adenylate cyclase type 1 | 1 |
| 36346696 | 10.1021/acs.jmedchem.2c01133 | Adenylate cyclase type 2 | 1 |
| 36346696 | 10.1021/acs.jmedchem.2c01133 | Adenylate cyclase type 5 | 1 |
| 36346696 | 10.1021/acs.jmedchem.2c01133 | Adenylate cyclase type 8 | 1 |
Data from ChEMBL 36 via Core Engine