Compound Detail
CHEMBL5422170
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Cc1ccc(C(=O)N(CCCNC(=O)COCCOCCNC(=O)CCCn2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL5422170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALBJVSNLPRKJDX-VCZQVZGSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
984.6
MW (Da)
7.20
ALogP
13
HBA
2
HBD
184.6
PSA (Ų)
0.06
QED
3
Ro5 Violations
23
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta CHEMBL3860 | Kd | 7.13 | 7.13 | 74.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Kd | = | 74.0 | nM | 7.13 | Binding affinity to PDEdelta (unknown origin) assessed as dissociation constant ... | 38229750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38229750 | 10.1021/acsmedchemlett.3c00161 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | 1 |
| 38229750 | 10.1021/acsmedchemlett.3c00161 | LC3-B-PDEdelta | 1 |
Data from ChEMBL 36 via Core Engine