TAK-779
SMILES | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C |
InChIKey | XNHZXMPLVSJQFK-UHFFFAOYSA-O |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 495.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP1 | PD2R | Human | Prostanoid | A | pKi | 6.9 | 6.9 | 6.9 | Guide to Pharmacology |
EP1 | PE2R1 | Human | Prostanoid | A | pKi | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
EP2 | PE2R2 | Human | Prostanoid | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
EP3 | PE2R3 | Human | Prostanoid | A | pKi | 7.85 | 7.85 | 7.85 | Guide to Pharmacology |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
FP | PF2R | Human | Prostanoid | A | pKi | 6.4 | 6.45 | 6.5 | Guide to Pharmacology |
TP | TA2R | Human | Prostanoid | A | pKi | 4.7 | 4.7 | 4.7 | Guide to Pharmacology |
EP3 | PE2R3 | Mouse | Prostanoid | A | pKi | 7.51 | 7.51 | 7.51 | Guide to Pharmacology |
FP | PF2R | Mouse | Prostanoid | A | pKi | 5.9 | 5.9 | 5.9 | Guide to Pharmacology |
EP4 | PE2R4 | Mouse | Prostanoid | A | pKi | 5.6 | 5.6 | 5.6 | Guide to Pharmacology |
IP | PI2R | Mouse | Prostanoid | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
EP2 | PE2R2 | Mouse | Prostanoid | A | pKi | 5.8 | 5.8 | 5.8 | Guide to Pharmacology |
IP | PI2R | Human | Prostanoid | A | pKi | 6.5 | 6.55 | 6.6 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |