Compound Detail
CHEMBL5078021
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CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccncc3CC[C@H]2C2CC2)C1=O
Basic Information
| ChEMBL ID | CHEMBL5078021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBCMAPQJHUHFJH-WXVAWEFUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
2.71
ALogP
6
HBA
2
HBD
120.9
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
| CREB-binding protein CHEMBL5747 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase p300 | IC50 | = | 9.8 | nM | 8.01 | Inhibition of p300 (unknown origin) preincubated for 15 mins followed by additio... | 34801827 |
| CREB-binding protein | IC50 | = | 28.0 | nM | 7.55 | Inhibition of CBP (unknown origin) preincubated for 15 mins followed by addition... | 34801827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34801827 | 10.1016/j.bmc.2021.116512 | Histone acetyltransferase p300 | 1 |
| 34801827 | 10.1016/j.bmc.2021.116512 | CREB-binding protein | 1 |
Data from ChEMBL 36 via Core Engine