Compound Detail
CHEMBL5808085
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Cc1nn2c3c(nc2s1)CCN(C(=O)COc1ccc(N2CCCC2=O)nc1Cl)C3c1ccc(Cl)cc1F
Basic Information
| ChEMBL ID | CHEMBL5808085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLUIVTATVMXJSU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
575.5
MW (Da)
4.62
ALogP
8
HBA
0
HBD
92.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptophan 5-hydroxylase 1 CHEMBL5689 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tryptophan 5-hydroxylase 1 | IC50 | = | 2.0 | nM | 8.7 | Biochemical In Vitro Assay: To generate the enzyme, full length human TPH1 is cl... | - |
Data from ChEMBL 36 via Core Engine