Compound Detail
CHEMBL3699901
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
COc1n[nH]c2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12
Basic Information
| ChEMBL ID | CHEMBL3699901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFSBEWXEMOKQAU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
2.48
ALogP
6
HBA
2
HBD
105.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetyl-CoA carboxylase 2 CHEMBL4829 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
| Acetyl-CoA carboxylase 1 CHEMBL3351 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetyl-CoA carboxylase 2 | IC50 | = | 5.3 | nM | 8.28 | Inhibition Assay: Preparation of rhACC2. Human ACC2 inhibition was measured usin... | - |
| Acetyl-CoA carboxylase 1 | IC50 | = | 46.0 | nM | 7.34 | Inhibition Assay: Preparation of rhACC1. Two liters of SF9 cells, infected with ... | - |
Data from ChEMBL 36 via Core Engine