Compound Detail
CHEMBL4466522
ZERENCOTREP 🧪 Phase II
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🧪 Phase II
Cn1c(=O)n(CCCO)c(=O)c2c1nc(Oc1cccc(OC(F)(F)F)c1)n2Cc1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL4466522 |
| Name | ZERENCOTREP |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | PRJHEJGMSOBHTO-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
19
Publications
3
Known Names
Molecular Properties
524.9
MW (Da)
3.67
ALogP
9
HBA
1
HBD
100.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 6 meas. best 10.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Short transient receptor potential channel 4 CHEMBL4295971 | IC50 | 10.92 | 10.3033 | 0.0 | 3 |
| TRPC4/TRPC1 CHEMBL4523661 | IC50 | 10.48 | 10.48 | 0.0 | 1 |
| TRPC1/TRPC5 CHEMBL4523660 | IC50 | 9.72 | 9.72 | 0.2 | 1 |
| Short transient receptor potential channel 5 CHEMBL1250411 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Short transient receptor potential channel 4 | IC50 | = | 0.012 | nM | 10.92 | Inhibition of human TRPC4 expressed in HEK293 cells assessed as reduction in sph... | 30943030 |
| Short transient receptor potential channel 4 | IC50 | = | 0.03 | nM | 10.52 | Inhibition of human TRPC4 expressed in HEK293 cells assessed as reduction in sph... | 30943030 |
| TRPC4/TRPC1 | IC50 | = | 0.033 | nM | 10.48 | Inhibition of human TRPC4/human TRPC1 expressed in HEK293 cells assessed as redu... | 30943030 |
| TRPC1/TRPC5 | IC50 | = | 0.19 | nM | 9.72 | Inhibition of human TRPC5/human TRPC1 expressed in HEK293 cells assessed as redu... | 30943030 |
| Short transient receptor potential channel 4 | IC50 | = | 0.34 | nM | 9.47 | Inhibition of human TRPC4 expressed in HEK293 cells assessed as reduction in eng... | 30943030 |
| Short transient receptor potential channel 5 | IC50 | = | 1.3 | nM | 8.89 | Inhibition of human TRPC5 expressed in HEK293 cells assessed as reduction in eng... | 30943030 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | Fibroblast | 6 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 6 |
| - | 10.6019/CHEMBL5303304 | U2OS | 4 |
| 30943030 | 10.1021/acs.jmedchem.8b01954 | Short transient receptor potential channel 4 | 3 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
| 30943030 | 10.1021/acs.jmedchem.8b01954 | Short transient receptor potential channel 5 | 1 |
| - | 10.6019/CHEMBL5665443 | G/T mismatch-specific thymine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Single-strand selective monofunctional uracil DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | N-glycosylase/DNA lyase | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease III-like protein 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 2 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Adenine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | DNA-3-methyladenine glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Methyl-CpG-binding domain protein 4 | 1 |
| 31749913 | 10.1021/acsmedchemlett.9b00430 | No relevant target | 1 |
| 31749913 | 10.1021/acsmedchemlett.9b00430 | ADMET | 1 |
| 30943030 | 10.1021/acs.jmedchem.8b01954 | TRPC4/TRPC1 | 1 |
| 30943030 | 10.1021/acs.jmedchem.8b01954 | TRPC1/TRPC5 | 1 |
Data from ChEMBL 36 via Core Engine