Compound Detail
CHEMBL3234040
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
CC1=CC2Cc3nc4cc(Cl)ccc4c(NCc4ccc(CNC(=O)c5cc(O)c6c(c5)C(=O)c5cccc(O)c5C6=O)cc4)c3C(C1)C2.Cl
Basic Information
| ChEMBL ID | CHEMBL3234040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIVZUMYSVIHQNG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3304178 |
| Active Moiety | CHEMBL3304178 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
670.2
MW (Da)
7.61
ALogP
7
HBA
4
HBD
128.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.74 | 7.74 | 18.2 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.7 | 5.7 | 2020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 18.2 | nM | 7.74 | Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate... | 24568372 |
| Cholinesterase | IC50 | = | 510.0 | nM | 6.29 | Inhibition of human serum BChE using butyrylthiocholine iodide as substrate prei... | 24568372 |
| Beta-secretase 1 | IC50 | = | 2020.0 | nM | 5.7 | Inhibition of human recombinant BACE1 using methoxycoumarin-Ser-Glu-Val-Asn-Leu-... | 24568372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24568372 | 10.1021/jm401824w | Acetylcholinesterase | 2 |
| 24568372 | 10.1021/jm401824w | Amyloid-beta precursor protein | 2 |
| 24568372 | 10.1021/jm401824w | Cholinesterase | 1 |
| 24568372 | 10.1021/jm401824w | Beta-secretase 1 | 1 |
| 24568372 | 10.1021/jm401824w | No relevant target | 1 |
| 24568372 | 10.1021/jm401824w | Cholinesterases; ACHE & BCHE | 1 |
| 24568372 | 10.1021/jm401824w | Microtubule-associated protein tau | 1 |
Data from ChEMBL 36 via Core Engine