Compound Detail
CHEMBL4555191
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CN1C(=O)[C@@]2(Cc3ccc(C[C@]45SS[C@](CO)(C(=O)N4C)N(C)C5=O)cc3)SS[C@]1(CO)C(=O)N2C
Basic Information
| ChEMBL ID | CHEMBL4555191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGLWNZBIJQLQOG-GXRSIYKFSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
570.7
MW (Da)
0.19
ALogP
10
HBA
2
HBD
121.7
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Kd 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase p300 CHEMBL3784 | Kd | 6.12 | 6.12 | 750.0 | 1 |
| Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha CHEMBL3885588 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase p300 | Kd | = | 750.0 | nM | 6.12 | Binding affinity to human GST-fused p300 CH1 domain (323 to 423 residues) under ... | 30819620 |
| Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of human fluorescein-labeled HIF-1alpha (786 to 826 residues)/ human ... | 30819620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30819620 | 10.1016/j.bmc.2019.01.042 | Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha | 1 |
| 30819620 | 10.1016/j.bmc.2019.01.042 | Histone acetyltransferase p300 | 1 |
Data from ChEMBL 36 via Core Engine