Compound Detail
CHEMBL5575147
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Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](c2cc(OCCN3CCC(O[C@H]4C[C@H](Oc5cc(N6C7CCC6CN(c6cc(-c8ccccc8O)nnc6N)C7)ccn5)C4)CC3)no2)C(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL5575147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOMWKZXTQZEWBK-PRVCUHQGSA-N |
3
Targets
3
Activities
1
Assay Types
6
PK Parameters
14
Publications
0
Known Names
Molecular Properties
1068.3
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor CHEMBL3108660 | Kd | 8.47 | 8.47 | 3.4 | 1 |
| Probable global transcription activator SNF2L2 CHEMBL2362979 | Kd | 7.14 | 7.14 | 72.0 | 1 |
| Transcription activator BRG1 CHEMBL3085620 | Kd | 6.97 | 6.97 | 108.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 22.0 | ml.min/kg | Mus musculus |
| T1/2 | 2.6 | hr | Mus musculus |
| T1/2 | 0.003694 | hr | Homo sapiens |
| T1/2 | 0.002639 | hr | Homo sapiens |
| T1/2 | 0.09611 | hr | Homo sapiens |
| T1/2 | 0.3261 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor | Kd | = | 3.4 | nM | 8.47 | Binding affinity to VHL (unknown origin) assessed as dissociation constant | 38180485 |
| Probable global transcription activator SNF2L2 | Kd | = | 72.0 | nM | 7.14 | Binding affinity to his-tagged BRM bromodomain (unknown origin) assessed as diss... | 38180485 |
| Transcription activator BRG1 | Kd | = | 108.0 | nM | 6.97 | Binding affinity to his-tagged BRG1 bromodomain (unknown origin) assessed as dis... | 38180485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38180485 | 10.1021/acs.jmedchem.3c01781 | ADMET | 10 |
| 38180485 | 10.1021/acs.jmedchem.3c01781 | von Hippel-Lindau disease tumor suppressor/Probable global transcription activator SNF2L2 | 5 |
| 38180485 | 10.1021/acs.jmedchem.3c01781 | Unchecked | 5 |
| 38180485 | 10.1021/acs.jmedchem.3c01781 | von Hippel-Lindau disease tumor suppressor/Transcription activator BRG1 | 4 |
| 38180485 | 10.1021/acs.jmedchem.3c01781 | Mus musculus | 3 |
| 38180485 | 10.1021/acs.jmedchem.3c01781 | NCI-H1944 | 1 |
| 38180485 | 10.1021/acs.jmedchem.3c01781 | Calu-6 | 1 |
| 38180485 | 10.1021/acs.jmedchem.3c01781 | Probable global transcription activator SNF2L2 | 1 |
| 38180485 | 10.1021/acs.jmedchem.3c01781 | Transcription activator BRG1 | 1 |
| 38180485 | 10.1021/acs.jmedchem.3c01781 | von Hippel-Lindau disease tumor suppressor | 1 |
| 38180485 | 10.1021/acs.jmedchem.3c01781 | HCC2302 | 1 |
| 38180485 | 10.1021/acs.jmedchem.3c01781 | MAP kinase-activated protein kinase 3 | 1 |
| 38180485 | 10.1021/acs.jmedchem.3c01781 | Urokinase-type plasminogen activator | 1 |
| 38180485 | 10.1021/acs.jmedchem.3c01781 | Protein polybromo-1 | 1 |
Data from ChEMBL 36 via Core Engine