Compound Detail
CHEMBL2355712
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CCN(CC)CCNC(=O)C1C(C)=NC(/C=C2\C(=O)Nc3ccc(F)cc32)=C1C.O=C(O)CC(O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2355712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFZBJFWXHCSNPX-HBPAQXCTSA-N |
| Parent Compound | CHEMBL2365664 |
| Active Moiety | CHEMBL2365664 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
2.98
ALogP
4
HBA
2
HBD
73.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.59 | 6.3 | 25.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 25.4 | nM | 7.59 | PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... | - |
| Unchecked | IC50 | = | 1278.4 | nM | 5.89 | PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator... | - |
| Unchecked | IC50 | = | 3812.1 | nM | 5.42 | PubChem BioAssay. Increased chromatin condensation in HeLa cells-IC50. (Class ... | - |
Data from ChEMBL 36 via Core Engine