Compound Detail
CHEMBL291963
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Basic Information
| ChEMBL ID | CHEMBL291963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDWXVEDTQPGXCG-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
3.47
ALogP
6
HBA
1
HBD
68.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Bcr/Abl fusion protein CHEMBL2096618 | IC50 | 5.48 | 5.48 | 3311.3 | 1 |
| Platelet-derived growth factor receptor CHEMBL2095189 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 200.0 | nM | 6.7 | In vitro inhibition of histamine release from human basophils | 8410986 |
| Protein kinase C alpha type | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of protein kinase C alpha. | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of c-Src-tyrosine kinase. | - |
| Tyrosine-protein kinase ABL1 | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of v-Abl tyrosine kinase. | - |
| Bcr/Abl fusion protein | IC50 | = | 3311.31 | nM | 5.48 | Inhibition of BCR-ABL kinase (unknown origin) | 23473682 |
| Platelet-derived growth factor receptor | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of the platelet-derived growth factor receptor. | - |
| Protein kinase C delta type | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of protein kinase C delta. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410986 | 10.1021/jm00071a002 | Homo sapiens | 1 |
| - | 10.1016/S0960-894X(96)00601-4 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.1016/S0960-894X(96)00601-4 | Epidermal growth factor receptor | 1 |
| - | 10.1016/S0960-894X(96)00601-4 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| - | 10.1016/S0960-894X(96)00601-4 | Platelet-derived growth factor receptor | 1 |
| - | 10.1016/S0960-894X(96)00601-4 | cAMP-dependent protein kinase (PKA) | 1 |
| - | 10.1016/S0960-894X(96)00601-4 | Protein kinase C alpha type | 1 |
| - | 10.1016/S0960-894X(96)00601-4 | Protein kinase C delta type | 1 |
| 23473682 | 10.1016/j.bmcl.2013.01.113 | Bcr/Abl fusion protein | 1 |
Data from ChEMBL 36 via Core Engine