Compound Detail
CHEMBL5431289
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Cc1ccc(-n2nc3c(=O)n(CCCC(=O)NCCOCCOCCNC(=O)COc4c(Br)cc(/C=C5\C(=O)Nc6ccc(I)cc65)cc4Br)nc(C)c3c2C)cc1
Basic Information
| ChEMBL ID | CHEMBL5431289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQYINDIYUUTHFG-DXJNIWACSA-N |
4
Targets
4
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1031.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
EC50 1 meas. best 4.75
Kd 1 meas. best 6.94
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 | 6.94 | 6.94 | 116.0 | 1 |
| CAPAN-1 CHEMBL614536 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| LC3-B-PDEdelta CHEMBL5482984 | EC50 | 4.75 | 4.75 | 18000.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 4.6 | 4.6 | 25000.0 | 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 | = | 116.0 | nM | 6.94 | Binding affinity to PDEdelta (unknown origin) assessed as dissociation constant ... | 38229750 |
| CAPAN-1 | IC50 | = | 3500.0 | nM | 5.46 | Antiproliferative activity against human CAPAN-1 cells harboring KRAS mutant ass... | 38229750 |
| LC3-B-PDEdelta | EC50 | = | 18000.0 | nM | 4.75 | Induction of autophagic protein LC3-B mediated PDEdelta degradation in human MIA... | 38229750 |
| MIA PaCa-2 | IC50 | = | 25000.0 | nM | 4.6 | Antiproliferative activity against human MIA PaCa-2 cells harboring KRAS mutant ... | 38229750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38229750 | 10.1021/acsmedchemlett.3c00161 | LC3-B-PDEdelta | 4 |
| 38229750 | 10.1021/acsmedchemlett.3c00161 | MIA PaCa-2 | 1 |
| 38229750 | 10.1021/acsmedchemlett.3c00161 | CAPAN-1 | 1 |
| 38229750 | 10.1021/acsmedchemlett.3c00161 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | 1 |
Data from ChEMBL 36 via Core Engine