Compound Detail
CHEMBL4466328
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CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCN([C@@H](CCC(N)=O)C(N)=O)C(=O)[C@@H]2C)C1=O
Basic Information
| ChEMBL ID | CHEMBL4466328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMTAQWMOLHFOLT-VJANTYMQSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
-0.57
ALogP
6
HBA
3
HBD
159.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase p300 CHEMBL3784 | Kd | 6.28 | 6.28 | 530.0 | 2 |
| CREB-binding protein/Histone acetyltransferase p300 CHEMBL3883300 | Kd | 6.28 | 6.28 | 530.0 | 1 |
| HIF1A/p300/CREB-binding protein CHEMBL4296108 | Kd | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase p300 | Kd | = | 530.0 | nM | 6.28 | Binding affinity to p300-CH1 domain (unknown origin) | 30682255 |
| Histone acetyltransferase p300 | Kd | = | 530.0 | nM | 6.28 | Binding affinity to p300 CH1 domain (unknown origin) by tryptophan fluorescence ... | 30819620 |
| CREB-binding protein/Histone acetyltransferase p300 | Kd | = | 530.0 | nM | 6.28 | Binding affinity to p300-CBP (unknown origin) protein protein interaction assess... | 37406382 |
| HIF1A/p300/CREB-binding protein | Kd | = | 5300.0 | nM | 5.28 | Binding affinity to hypoxia induced HIF-1 alpha/P300 CH1 domain (323 to 423 resi... | 33423841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30682255 | 10.1021/acs.jmedchem.8b01596 | Histone acetyltransferase p300 | 1 |
| 30819620 | 10.1016/j.bmc.2019.01.042 | MDA-MB-231 | 1 |
| 30819620 | 10.1016/j.bmc.2019.01.042 | Histone acetyltransferase p300 | 1 |
| 33423841 | 10.1016/j.ejmech.2020.113015 | HIF1A/p300/CREB-binding protein | 1 |
| 33423841 | 10.1016/j.ejmech.2020.113015 | MDA-MB-231 | 1 |
| 37406382 | 10.1016/j.ejmech.2023.115587 | CREB-binding protein/Histone acetyltransferase p300 | 1 |
Data from ChEMBL 36 via Core Engine