Compound Detail
CHEMBL1202525
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
COc1ccc(O)c(C(=O)c2ccc(CO[C@@H]3CCCNCC3NC(=O)c3ccncc3)cc2)c1F.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL1202525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCJIBQYWZCDKLB-IZQJFRLESA-N |
| Parent Compound | CHEMBL28982 |
| Active Moiety | CHEMBL28982 |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
493.5
MW (Da)
3.23
ALogP
7
HBA
3
HBD
109.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase A CHEMBL2111446 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.45 | 6.45 | 355.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 29.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP-dependent protein kinase A | IC50 | = | 39.0 | nM | 7.41 | Inhibition of bovine protein kinase A (PKA) | 14998327 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 355.0 | nM | 6.45 | Inhibition of Protein kinase B alpha | 14998327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14998327 | 10.1021/jm0310479 | RAC-alpha serine/threonine-protein kinase | 1 |
| 14998327 | 10.1021/jm0310479 | cAMP-dependent protein kinase A | 1 |
| 14998327 | 10.1021/jm0310479 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine