Compound Detail
CHEMBL1230809
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CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL1230809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSLZBFCDCINBPY-ZSJPKINUSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
809.6
MW (Da)
-1.32
ALogP
19
HBA
9
HBD
363.6
PSA (Ų)
0.06
QED
3
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-alpha-acetyltransferase 50 CHEMBL4630854 | Kd | 7.75 | 7.75 | 17.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.06667 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-alpha-acetyltransferase 50 | Kd | = | 17.6 | nM | 7.75 | Binding affinity to full length human N-terminal His-tagged/GST-tagged Naa50 exp... | 32550998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32550998 | 10.1021/acsmedchemlett.0c00029 | N-alpha-acetyltransferase 50 | 4 |
| 34141066 | 10.1021/acsmedchemlett.0c00193 | RNA cytidine acetyltransferase | 2 |
Data from ChEMBL 36 via Core Engine