Compound Detail
CHEMBL4094351
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N#Cc1cnn2c3cc(nc12)N1C[C@H](C[C@H]1CO)OC/C=C/COc1cc(cc2c1NC(=O)CC2)N3
Basic Information
| ChEMBL ID | CHEMBL4094351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SABLEOBBNNRHAD-WNJMFGOSSA-N |
3
Targets
9
Activities
2
Assay Types
1
PK Parameters
19
Publications
0
Known Names
Molecular Properties
487.5
MW (Da)
2.13
ALogP
10
HBA
3
HBD
137.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.54
Kd 3 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B-cell lymphoma 6 protein CHEMBL4105786 | IC50 | 8.54 | 7.404 | 2.9 | 5 |
| B-cell lymphoma 6 protein CHEMBL4105786 | Kd | 8.19 | 8.19 | 6.5 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Kd | 8.19 | 8.19 | 6.5 | 1 |
| Casein kinase 2 CHEMBL3832943 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.03333 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine