Compound Detail
CHEMBL3823101
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Basic Information
| ChEMBL ID | CHEMBL3823101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJFSUDWKXGMUKA-UHFFFAOYSA-N |
16
Targets
39
Activities
3
Assay Types
8
PK Parameters
20
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.68
ALogP
6
HBA
0
HBD
56.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 18 meas. best 7.12
Kd 18 meas. best 8.23
EC50 3 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 9 CHEMBL3108640 | Kd | 8.23 | 7.9483 | 5.9 | 6 |
| Bromodomain-containing protein 7 CHEMBL3085622 | Kd | 7.14 | 6.8333 | 73.0 | 6 |
| Bromodomain-containing protein 9 CHEMBL3108640 | IC50 | 7.12 | 7.12 | 75.0 | 2 |
| Chromatin remodeling regulator CECR2 CHEMBL3108639 | Kd | 7.11 | 6.905 | 77.0 | 4 |
| EOL1 CHEMBL614489 | IC50 | 6.47 | 6.47 | 339.2 | 1 |
| Bromodomain-containing protein 7 CHEMBL3085622 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| Bromodomain-containing protein 9 CHEMBL3108640 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| CREB-binding protein CHEMBL5747 | Kd | 5.57 | 5.57 | 2700.0 | 1 |
| Bromodomain-containing protein 7 CHEMBL3085622 | IC50 | 5.47 | 5.47 | 3410.0 | 3 |
| A204 CHEMBL614514 | IC50 | 5.45 | 5.45 | 3550.0 | 1 |
| Transcription initiation factor TFIID subunit 1 CHEMBL3217390 | Kd | 5.42 | 5.42 | 3800.0 | 1 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 5.29 | 5.29 | 5140.0 | 1 |
| Activin receptor type-1 CHEMBL5903 | IC50 | 5.29 | 5.29 | 5090.0 | 1 |
| Activin receptor type-2B CHEMBL5466 | IC50 | 5.12 | 5.12 | 7680.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.97 | 4.8067 | 10800.0 | 3 |
| G-401 CHEMBL613509 | IC50 | 4.97 | 4.935 | 10800.0 | 2 |
| BT-12 CHEMBL6066736 | IC50 | 4.76 | 4.76 | 17200.0 | 1 |
| CHLA-266 CHEMBL6066737 | IC50 | 4.47 | 4.47 | 33700.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5301.3 | ng.hr.mL-1 | Mus musculus |
| AUC | 79872.92 | ng.hr.mL-1 | Mus musculus |
| AUC | 94716.56 | ng.hr.mL-1 | Mus musculus |
| CL | 65.0 | % | Mus musculus |
| Cmax | 5400.0 | nM | Mus musculus |
| Cmax | 35000.0 | nM | Mus musculus |
| F | 88.0 | % | Mus musculus |
| F | 151.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine