ILOPROST
| SMILES | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O |
| InChIKey | HIFJCPQKFCZDDL-ACWOEMLNSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 360.2 |
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 |
| IP | PI2R | Rat | Prostanoid | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
| IP | PI2R | Human | Prostanoid | A | pKi | 8.14 | 8.27 | 8.49 | ChEMBL |
| EP3 | PE2R3 | Human | Prostanoid | A | pKi | 5.43 | 5.43 | 5.43 | ChEMBL |
| DP1 | PD2R | Human | Prostanoid | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| EP2 | PE2R2 | Human | Prostanoid | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| EP4 | PE2R4 | Human | Prostanoid | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| FP | PF2R | Human | Prostanoid | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| TP | TA2R | Human | Prostanoid | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| EP1 | PE2R1 | Mouse | Prostanoid | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| EP3 | PE2R3 | Mouse | Prostanoid | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| EP1 | PE2R1 | Rat | Prostanoid | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| EP2 | PE2R2 | Rat | Prostanoid | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| EP4 | PE2R4 | Mouse | Prostanoid | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| IP | PI2R | Mouse | Prostanoid | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| EP2 | PE2R2 | Mouse | Prostanoid | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| IP | PI2R | Rat | Prostanoid | A | pEC50 | 9.16 | 9.16 | 9.16 | ChEMBL |
| IP | PI2R | Human | Prostanoid | A | pIC50 | 7.57 | 7.87 | 8.08 | ChEMBL |
| IP | PI2R | Human | Prostanoid | A | pEC50 | 8.62 | 9.01 | 9.4 | ChEMBL |
| DP1 | PD2R | Human | Prostanoid | A | pEC50 | 5.69 | 6.26 | 6.83 | ChEMBL |
| EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 5.68 | 5.68 | 5.68 | ChEMBL |
| EP1 | PE2R1 | Human | Prostanoid | A | pEC50 | 8.11 | 8.11 | 8.11 | Drug Central |
| EP3 | PE2R3 | Human | Prostanoid | A | pEC50 | 8.14 | 8.14 | 8.14 | Drug Central |
| IP | PI2R | Human | Prostanoid | A | pEC50 | 8.11 | 8.11 | 8.11 | Drug Central |
| EP3 | PE2R3 | Rat | Prostanoid | A | pEC50 | 8.04 | 8.04 | 8.04 | Drug Central |
| EP1 | PE2R1 | Human | Prostanoid | A | pEC50 | 9.52 | 9.52 | 9.52 | ChEMBL |
| IP | PI2R | Rat | Prostanoid | A | pEC50 | 8.04 | 8.04 | 8.04 | Drug Central |