Compound Detail
CHEMBL56904
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL56904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHMBUEWQJDGKGS-UHFFFAOYSA-N |
7
Targets
9
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
4.28
ALogP
7
HBA
2
HBD
86.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.0
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Bcr/Abl fusion protein CHEMBL2096618 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| BCR/ABL1 CHEMBL4523652 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | Ki | 6.8 | 6.8 | 160.0 | 1 |
| Platelet-derived growth factor receptor CHEMBL2095189 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.11 | 5.11 | 7800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of v-Abl tyrosine kinase. | - |
| Bcr/Abl fusion protein | IC50 | = | 100.0 | nM | 7.0 | Inhibition of BCR-ABL kinase (unknown origin) | 23473682 |
| BCR/ABL1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Bcr-Abl phosphorylation in BALB/c mouse 3T3 by Western blot analys... | 30243589 |
| Tyrosine-protein kinase SYK | Ki | = | 160.0 | nM | 6.8 | Inhibition of SYK | 22257213 |
| Platelet-derived growth factor receptor | IC50 | = | 200.0 | nM | 6.7 | Inhibition of the platelet-derived growth factor receptor. | - |
| Platelet-derived growth factor receptor beta | IC50 | = | 200.0 | nM | 6.7 | Inhibition of PDGFR phosphorylation in BALB/c mouse 3T3 by Western blot analysis | 30243589 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 7800.0 | nM | 5.11 | Inhibition of c-Src-tyrosine kinase. | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 7800.0 | nM | 5.11 | Inhibition of c-Src (unknown origin) | 30243589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 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 |
| - | 10.1016/S0960-894X(96)00601-4 | No relevant target | 1 |
| 22257213 | 10.1021/jm201271b | Tyrosine-protein kinase SYK | 1 |
| 23473682 | 10.1016/j.bmcl.2013.01.113 | Bcr/Abl fusion protein | 1 |
| 30243589 | 10.1016/j.bmcl.2018.09.016 | BCR/ABL1 | 1 |
| 30243589 | 10.1016/j.bmcl.2018.09.016 | Platelet-derived growth factor receptor beta | 1 |
| 30243589 | 10.1016/j.bmcl.2018.09.016 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 30243589 | 10.1016/j.bmcl.2018.09.016 | cAMP-dependent protein kinase (PKA) | 1 |
| 30243589 | 10.1016/j.bmcl.2018.09.016 | Protein kinase C (PKC) | 1 |
Data from ChEMBL 36 via Core Engine