Compound Detail
CHEMBL473773
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Basic Information
| ChEMBL ID | CHEMBL473773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBIAKDAYHRWZCU-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
376.2
MW (Da)
3.86
ALogP
6
HBA
2
HBD
76.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.75
EC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | EC50 | 6.72 | 6.72 | 189.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 5.51 | 5.51 | 3080.0 | 1 |
| T-cell CHEMBL614309 | IC50 | 5.29 | 5.29 | 5095.0 | 1 |
| HFF CHEMBL614071 | IC50 | 5.2 | 5.2 | 6343.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | EC50 | = | 189.0 | nM | 6.72 | Inhibition of ABCG2 (unknown origin) expressed in MDCK2 cells co-expressing BCRP... | 30594677 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of JAK3 (unknown origin) | 29969256 |
| ATP-dependent translocase ABCB1 | EC50 | = | 3080.0 | nM | 5.51 | Inhibition of ABCB1 in human A2780/ADR cells assessed as potentiation of daunoru... | 30594677 |
| T-cell | IC50 | = | 5095.0 | nM | 5.29 | Inhibition of IL2-induced proliferation of human T cells assessed as [3H]thymidi... | 14593182 |
| HFF | IC50 | = | 6343.0 | nM | 5.2 | Inhibition of fetal calf serum-induced proliferation of human foreskin fibroblas... | 14593182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398362 | 10.1042/bj20121418 | Insulin-like growth factor 1 receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase HCK | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase mTOR | 4 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 5/CDK5 activator 1 | 4 |
| 23398362 | 10.1042/bj20121418 | cGMP-dependent protein kinase 1 | 4 |
| 33691794 | 10.1186/s13148-021-01037-1 | A549 | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Lck | 4 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C beta type | 4 |
| 23398362 | 10.1042/bj20121418 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 2 |
| 23398362 | 10.1042/bj20121418 | Fibroblast growth factor receptor 4 | 2 |
| 23398362 | 10.1042/bj20121418 | Death-associated protein kinase 1 | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform delta | 2 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin E | 2 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin A | 2 |
| 23398362 | 10.1042/bj20121418 | Aurora kinase A | 2 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase ABL2 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase MARK1 | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase II | 2 |
| 23398362 | 10.1042/bj20121418 | Dual specificity mitogen-activated protein kinase kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine