Compound Detail
CHEMBL4521064
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
C[C@@H](NC(=O)c1cc2c(Cl)cc(N3CCN(C)CC3)cc2n1C)c1ccc(S(=O)(=O)CC(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL4521064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJXDDKNZKJHKDW-MRXNPFEDSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
533.0
MW (Da)
2.93
ALogP
7
HBA
2
HBD
112.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-3-phosphoglycerate dehydrogenase CHEMBL2311243 | IC50 | 7.08 | 6.81 | 84.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-3-phosphoglycerate dehydrogenase | IC50 | = | 84.0 | nM | 7.08 | Inhibition of N-terminal HIS-tagged and TEV cleavage site containing full length... | - |
| D-3-phosphoglycerate dehydrogenase | IC50 | = | 84.0 | nM | 7.08 | Fluorescence Intensity Assay (250 NAD): Compounds are dispensed onto assay plate... | - |
| D-3-phosphoglycerate dehydrogenase | IC50 | = | 292.0 | nM | 6.54 | Inhibition of N-terminal HIS-tagged and TEV cleavage site containing full length... | - |
| D-3-phosphoglycerate dehydrogenase | IC50 | = | 292.0 | nM | 6.54 | Fluorescence Intensity Assay (500 NAD): Compounds are dispensed onto assay plate... | - |
Data from ChEMBL 36 via Core Engine