ILOPROST TROMETHAMINE
ID: ALA5315118
Chembl Id: CHEMBL5315118
Max Phase: Approved
First Approval: 2003
Molecular Formula: C26H43NO7
Molecular Weight: 360.49
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Synonyms: Ciloprost trometamol | Trometamol iloprost
Trade Names(1): Ventavis
Canonical 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.NC(CO)(CO)CO
Standard InChI: InChI=1S/C22H32O4.C4H11NO3/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24;5-4(1-6,2-7)3-8/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26);6-8H,1-3,5H2/b11-10+,16-8+;/t15?,17-,18+,19-,20+,21+;/m0./s1
Standard InChI Key: KZSSWXACMCYLBM-RMWNCEGRSA-N
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Calculated Properties
| Molecular Weight: 360.49 | Molecular Weight (Monoisotopic): 360.2301 | AlogP: 3.54 | #Rotatable Bonds: 8 |
| Polar Surface Area: 77.76 | Molecular Species: ACID | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.66 | CX Basic pKa: | CX LogP: 3.56 | CX LogD: 0.89 |
| Aromatic Rings: 0 | Heavy Atoms: 26 | QED Weighted: 0.35 | Np Likeness Score: 1.99 |
References
| 1. European Medicines Agency, |
Source
Source(1):