Compound Detail
CHEMBL4524475
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CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)N1C/C=C/CCN[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4524475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNMGNQLZEXZQMB-OTZFQDRUSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
966.1
MW (Da)
-3.89
ALogP
13
HBA
14
HBD
429.6
PSA (Ų)
0.02
QED
3
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.16
Ki 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase p300 CHEMBL3784 | Kd | 6.16 | 6.16 | 690.0 | 1 |
| Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha CHEMBL3885588 | Ki | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase p300 | Kd | = | 690.0 | nM | 6.16 | Binding affinity to p300 CH1 domain (unknown origin) by fluorescence anisotropy ... | 30819620 |
| Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha | Ki | = | 3500.0 | nM | 5.46 | Inhibition of HIF-1alpha (786 to 826 residues) (unknown origin)/p300 (unknown or... | 30819620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30819620 | 10.1016/j.bmc.2019.01.042 | Histone acetyltransferase p300 | 1 |
| 30819620 | 10.1016/j.bmc.2019.01.042 | Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha | 1 |
Data from ChEMBL 36 via Core Engine