Compound Detail
CHEMBL5594211
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CCN(CC1CCN(c2ccc(C(=O)OC)c([N+](=O)[O-])c2)CC1)C(=O)CCCCCCN(C(=O)c1ccc(F)cc1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL5594211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYSZAEHWVUZOEN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
612.7
MW (Da)
6.09
ALogP
7
HBA
0
HBD
113.3
PSA (Ų)
0.10
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.52
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 | 9.52 | 9.52 | 0.3 | 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 | = | 0.3 | nM | 9.52 | Displacement of fluorescein-labeled Atorvastatin from N-terminal His6 tagged hum... | 38758695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38758695 | 10.1021/acs.jmedchem.3c02129 | Unchecked | 3 |
| 38758695 | 10.1021/acs.jmedchem.3c02129 | MEF | 2 |
| 38758695 | 10.1021/acs.jmedchem.3c02129 | GTPase KRas | 2 |
| 38758695 | 10.1021/acs.jmedchem.3c02129 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | 1 |
| 38758695 | 10.1021/acs.jmedchem.3c02129 | SW-620 | 1 |
| 38758695 | 10.1021/acs.jmedchem.3c02129 | MIA PaCa-2 | 1 |
| 38758695 | 10.1021/acs.jmedchem.3c02129 | SW-403 | 1 |
| 38758695 | 10.1021/acs.jmedchem.3c02129 | PANC-1 | 1 |
| 38758695 | 10.1021/acs.jmedchem.3c02129 | MDA-MB-231 | 1 |
| 38758695 | 10.1021/acs.jmedchem.3c02129 | SW480 | 1 |
| 38758695 | 10.1021/acs.jmedchem.3c02129 | NCI-H358 | 1 |
| 38758695 | 10.1021/acs.jmedchem.3c02129 | Hs-578T | 1 |
| 38758695 | 10.1021/acs.jmedchem.3c02129 | T-24 | 1 |
Data from ChEMBL 36 via Core Engine