Compound Detail
CHEMBL48270
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Basic Information
| ChEMBL ID | CHEMBL48270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXOFHDKVTPPXQP-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
4.65
ALogP
6
HBA
2
HBD
92.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.68
Kd 1 meas. best 8.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | Kd | 8.53 | 8.53 | 3.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | Kd | = | 2.951 | nM | 8.53 | pA2 value determined in vitro against angiotensin II receptor, type 1 using rabb... | - |
| Phosphodiesterase 4 | IC50 | = | 21000.0 | nM | 4.68 | Inhibitory effect in cAMP-specific Phosphodiesterase 4 (PDE 4) isolated from gui... | 9871607 |
| Phosphodiesterase 3 | IC50 | = | 24000.0 | nM | 4.62 | Inhibitory effect in cGMP-inhibited Phosphodiesterase 3 (PDE 3) isolated from gu... | 9871607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871607 | 10.1016/s0960-894x(98)00058-4 | Phosphodiesterase 4 | 1 |
| 9871607 | 10.1016/s0960-894x(98)00058-4 | Phosphodiesterase 3 | 1 |
| - | 10.1016/S0960-894X(01)81142-2 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine