Compound Detail
CHEMBL4166991
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C=C1[C@@H](O)CC[C@]2(C)C3=C4[C@@H](C[C@@H]12)C(=O)CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CC3
Basic Information
| ChEMBL ID | CHEMBL4166991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKIDAKSZXWINRJ-ZGQXDLOVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.7
MW (Da)
7.12
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase p300 | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of human p300 expressed in Escherichia coli incubated for 15 mins fol... | 29989811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29989811 | 10.1021/acs.jnatprod.8b00281 | Histone acetyltransferase p300 | 1 |
Data from ChEMBL 36 via Core Engine