Compound Detail
CHEMBL4645901
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CNC(=O)c1csc([C@@H]2C[C@H](NC(=O)[C@@H]3CC(=O)N(C)C(=O)N3)CN2C(=O)c2ccc(-c3nn[nH]n3)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL4645901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYFLGRBSBZONAM-DZKIICNBSA-N |
1
Targets
4
Activities
2
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
552.6
MW (Da)
-0.30
ALogP
10
HBA
4
HBD
195.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.57
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-alpha-acetyltransferase 50 CHEMBL4630854 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| N-alpha-acetyltransferase 50 CHEMBL4630854 | Kd | 7.57 | 7.35 | 26.7 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.04333 | hr | Homo sapiens |
| T1/2 | 0.14 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-alpha-acetyltransferase 50 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of wild type human Naa50 (1852 to 2082 residues) expressed in Escheri... | 32550998 |
| N-alpha-acetyltransferase 50 | Kd | = | 26.7 | nM | 7.57 | Binding affinity to full length human N-terminal His-tagged/GST-tagged Naa50 exp... | 32550998 |
| N-alpha-acetyltransferase 50 | Kd | = | 32.0 | nM | 7.5 | Binding affinity to full length human N-terminal His-tagged/GST-tagged Naa50 exp... | 32550998 |
| N-alpha-acetyltransferase 50 | Kd | = | 105.0 | nM | 6.98 | 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 | 12 |
| 32550998 | 10.1021/acsmedchemlett.0c00029 | N-alpha-acetyltransferase 10 | 1 |
| 32550998 | 10.1021/acsmedchemlett.0c00029 | N-alpha-acetyltransferase 60 | 1 |
| 32550998 | 10.1021/acsmedchemlett.0c00029 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine