Compound Detail
CHEMBL336589
7-METHYL-8-OXO-5-P-TOLYL-7,8-DIHYDRO-[1,7]NAPHTHYRIDINE-6-CARBOXYLIC ACID (S)-[(S)-1-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-ETHYL]-METHYL-AMIDE (ENANTIOMERIC MIX) Enter ChEMBL ID:
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Cc1ccc(-c2c(C(=O)N(C)[C@@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n(C)c(=O)c3ncccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL336589 |
| Name | 7-METHYL-8-OXO-5-P-TOLYL-7,8-DIHYDRO-[1,7]NAPHTHYRIDINE-6-CARBOXYLIC ACID (S)-[(S)-1-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-ETHYL]-METHYL-AMIDE (ENANTIOMERIC MIX) |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TTZWDLZPHOQUAU-INIZCTEOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
547.5
MW (Da)
6.78
ALogP
4
HBA
0
HBD
55.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 9.1 | 8.23 | 0.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 0.8 | nM | 9.1 | Binding affinity at Tachykinin receptor 1 by measuring its ability to inhibit [1... | 9784098 |
| Substance-P receptor | IC50 | = | 44.0 | nM | 7.36 | Binding affinity at Tachykinin receptor 1 by measuring its ability to inhibit [1... | 9784098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784098 | 10.1021/jm980042m | Cavia porcellus | 3 |
| 9784098 | 10.1021/jm980042m | Substance-P receptor | 2 |
Data from ChEMBL 36 via Core Engine