Compound Detail
CHEMBL4748407
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Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)c(OCCOc2ccc(CN3CCN(c4cc(-c5ccccc5O)nnc4N)CC3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL4748407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVARZBJJMMUJHI-SQKKEFIPSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
936.1
MW (Da)
5.25
ALogP
14
HBA
5
HBD
208.6
PSA (Ų)
0.08
QED
3
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.92
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor/Probable global transcription activator SNF2L2 CHEMBL5465235 | EC50 | 7.92 | 7.92 | 12.0 | 1 |
| von Hippel-Lindau disease tumor suppressor/Transcription activator BRG1 CHEMBL4748227 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor/Probable global transcription activator SNF2L2 | EC50 | = | 12.0 | nM | 7.92 | Protac activity at VHL/SMARCA2 in human A549 cells assessed as induction of SMAR... | 33062156 |
| von Hippel-Lindau disease tumor suppressor/Transcription activator BRG1 | EC50 | = | 16.0 | nM | 7.8 | Protac activity at VHL/SMARCA4 in human A549 cells assessed as induction of SMAR... | 33062156 |
| MV4-11 | IC50 | = | 28.0 | nM | 7.55 | Antiproliferative activity against human MV4-11 cells assessed as growth inhibit... | 32858471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32858471 | 10.1016/j.ejmech.2020.112698 | von Hippel-Lindau disease tumor suppressor/Probable global transcription activator SNF2L2 | 3 |
| 33062156 | 10.1021/acsmedchemlett.0c00347 | von Hippel-Lindau disease tumor suppressor/Transcription activator BRG1 | 2 |
| 37523716 | 10.1021/acs.jmedchem.3c00953 | von Hippel-Lindau disease tumor suppressor/Transcription activator BRG1 | 2 |
| 37523716 | 10.1021/acs.jmedchem.3c00953 | von Hippel-Lindau disease tumor suppressor/Probable global transcription activator SNF2L2 | 2 |
| 36788245 | 10.1021/acs.jmedchem.2c01555 | von Hippel-Lindau disease tumor suppressor/Probable global transcription activator SNF2L2 | 2 |
| 36788245 | 10.1021/acs.jmedchem.2c01555 | Protein polybromo-1/von Hippel-Lindau disease tumor suppressor | 2 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 2 |
| 33160761 | 10.1016/j.ejmech.2020.112981 | von Hippel-Lindau disease tumor suppressor/BANF1 | 2 |
| 33062156 | 10.1021/acsmedchemlett.0c00347 | von Hippel-Lindau disease tumor suppressor/Probable global transcription activator SNF2L2 | 2 |
| 32858471 | 10.1016/j.ejmech.2020.112698 | von Hippel-Lindau disease tumor suppressor/Transcription activator BRG1 | 1 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 1 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| 38663873 | 10.1021/acs.jmedchem.4c00015 | von Hippel-Lindau disease tumor suppressor/Transcription activator BRG1 | 1 |
| 32858471 | 10.1016/j.ejmech.2020.112698 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine