BW 245C
SMILES | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O |
InChIKey | ZIDQIOZJEJFMOH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 11 |
Molecular weight (Da) | 368.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP1 | PD2R | Human | Prostanoid | A | pKi | 8.4 | 8.9 | 9.4 | Guide to Pharmacology |
DP1 | PD2R | Rat | Prostanoid | A | pKi | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
DP1 | PD2R | Mouse | Prostanoid | A | pKi | 6.6 | 6.6 | 6.6 | Guide to Pharmacology |
FP | PF2R | Mouse | Prostanoid | A | pKi | 5.77 | 5.77 | 5.77 | PDSP Ki database |
DP1 | PD2R | Mouse | Prostanoid | A | pKi | 6.6 | 6.6 | 6.6 | PDSP Ki database |
EP1 | PE2R1 | Human | Prostanoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 6.66 | 6.77 | 6.88 | PDSP Ki database |
EP3 | PE2R3 | Human | Prostanoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
FP | PF2R | Human | Prostanoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
IP | PI2R | Human | Prostanoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
DP1 | PD2R | Human | Prostanoid | A | pKi | 9.4 | 9.4 | 9.4 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |