indomethacin
SMILES | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C |
InChIKey | CGIGDMFJXJATDK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 357.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP2 | PD2R2 | Human | Prostanoid | A | pKi | 6.1 | 6.9 | 7.7 | Guide to Pharmacology |
DP2 | PD2R2 | Mouse | Prostanoid | A | pKi | 5.7 | 5.85 | 6.0 | Guide to Pharmacology |
DP2 | PD2R2 | Human | Prostanoid | A | pKi | 5.1 | 6.2 | 7.3 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 7.0 | 7.61 | 8.15 | PDSP Ki database |
EP2 | PE2R2 | Dog | Prostanoid | A | pKi | 6.52 | 6.52 | 6.52 | PDSP Ki database |
EP2 | PE2R2 | Rat | Prostanoid | A | pKi | 6.52 | 7.13 | 7.74 | PDSP Ki database |
DP2 | PD2R2 | Human | Prostanoid | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
EP2 | PE2R2 | Human | Prostanoid | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
DP2 | PD2R2 | Mouse | Prostanoid | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP2 | PD2R2 | Human | Prostanoid | A | pEC50 | 6.41 | 6.41 | 6.41 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.8 | 5.8 | 5.8 | ChEMBL |
GPR17 | GPR17 | Human | A orphans | A | pIC50 | 4.54 | 4.54 | 4.54 | ChEMBL |