Compound Detail
CHEMBL99137
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Basic Information
| ChEMBL ID | CHEMBL99137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNOXOZZGUYTTPU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
2.36
ALogP
6
HBA
0
HBD
78.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 5.52 | 5.455 | 2990.0 | 2 |
| Bos taurus CHEMBL613489 | IC50 | 4.55 | 4.55 | 28000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B | IC50 | = | 2990.0 | nM | 5.52 | Inhibition of histone acetylase activity of human recombinant PCAF expressed in ... | 21353783 |
| Histone acetyltransferase KAT2B | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of histone acetylase activity of human recombinant PCAF expressed in ... | 21353783 |
| Bos taurus | IC50 | = | 28000.0 | nM | 4.55 | In vitro inhibition of human recombinant IL-1-beta-induced breakdown of bovine c... | 7932530 |
| Bos taurus | IC50 | = | 28000.0 | nM | 4.55 | In vitro ability to inhibit cartilage breakdown by using 1L-1beta stimulated bov... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353783 | 10.1016/j.bmc.2011.01.063 | Histone acetyltransferase KAT2B | 2 |
| 7932530 | 10.1021/jm00045a012 | Bos taurus | 1 |
| - | 10.1016/S0960-894X(01)80782-4 | Bos taurus | 1 |
| 21353783 | 10.1016/j.bmc.2011.01.063 | SK-N-SH | 1 |
| 21353783 | 10.1016/j.bmc.2011.01.063 | HCT-116 | 1 |
| 21353783 | 10.1016/j.bmc.2011.01.063 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine