Compound Detail
CHEMBL3899112
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Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)c2)cc(Cl)n1
Basic Information
| ChEMBL ID | CHEMBL3899112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FANKZYQPLIHFFN-PKNBQFBNSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
0
Publications
0
Known Names
Molecular Properties
493.9
MW (Da)
5.97
ALogP
5
HBA
2
HBD
100.6
PSA (Ų)
0.22
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 27000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 8572.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 8097.99 | nM | Mus musculus |
| Cmax | 3848.57 | nM | Mus musculus |
| T1/2 | 5.2 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2.7 | nM | 8.57 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
Data from ChEMBL 36 via Core Engine