Compound Detail
CHEMBL4453138
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
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](C#Cc2cccc(S(N)(=O)=O)c2)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL4453138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPTRZUZOSZNLSX-AVYFSKKJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
545.6
MW (Da)
-1.07
ALogP
12
HBA
6
HBD
242.8
PSA (Ų)
0.19
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide N-methyltransferase CHEMBL2346486 | Ki | 6.71 | 6.71 | 195.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide N-methyltransferase | Ki | = | 194.98 | nM | 6.71 | Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherich... | 31589440 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31589440 | 10.1021/acs.jmedchem.9b01238 | Nicotinamide N-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine