Compound Detail
CHEMBL263328
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Cc1ccc2c(ccn2C[C@@H]2C/C=C/[C@H](c3ccc(NC(=O)C(=O)O)cc3)[C@H](CC(=O)O)C(=O)NC3(CCCCC3)C(=O)N[C@@H](CC(N)=O)C(=O)NC2)c1
Basic Information
| ChEMBL ID | CHEMBL263328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGKDBAFVRWNOPJ-YUAXJFSXSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
1
Publications
0
Known Names
Molecular Properties
742.8
MW (Da)
2.72
ALogP
8
HBA
7
HBD
239.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.06
Kd 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 CHEMBL3663 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
| Growth factor receptor-bound protein 2 CHEMBL3663 | Kd | 7.17 | 7.17 | 67.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 8.66e-05 | 1/Ms | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 | IC50 | = | 8.8 | nM | 8.06 | Inhibitory concentration against growth factor receptor bound protein 2 | 15943469 |
| Growth factor receptor-bound protein 2 | Kd | = | 67.0 | nM | 7.17 | Dissociation constant value against growth factor receptor bound protein 2 | 15943469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15943469 | 10.1021/jm050059m | Growth factor receptor-bound protein 2 | 4 |
Data from ChEMBL 36 via Core Engine