FOSIGOTIFATOR
ID: ALA5315045
Max Phase: Phase
Molecular Formula: C25H27Cl2F2N2O9P
Molecular Weight: 639.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(COc1ccc(Cl)c(F)c1)NC12CCC(NC(=O)COc3ccc(Cl)c(F)c3)(CC1)[C@@H](OCOP(=O)(O)O)C2
Standard InChI: InChI=1S/C25H27Cl2F2N2O9P/c26-17-3-1-15(9-19(17)28)37-12-22(32)30-24-5-7-25(8-6-24,21(11-24)39-14-40-41(34,35)36)31-23(33)13-38-16-2-4-18(27)20(29)10-16/h1-4,9-10,21H,5-8,11-14H2,(H,30,32)(H,31,33)(H2,34,35,36)/t21-,24?,25?/m0/s1
Standard InChI Key: IURMHIZNAHLQRX-ANYOXOOPSA-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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 639.37 | Molecular Weight (Monoisotopic): 638.0799 | AlogP: 3.87 | #Rotatable Bonds: 12 |
| Polar Surface Area: 152.65 | Molecular Species: ACID | HBA: 7 | HBD: 4 |
| #RO5 Violations: 1 | HBA (Lipinski): 11 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 1.46 | CX Basic pKa: | CX LogP: 2.89 | CX LogD: -0.41 |
| Aromatic Rings: 2 | Heavy Atoms: 41 | QED Weighted: 0.20 | Np Likeness Score: -0.37 |
References
| 1. International Nonproprietary Names for Pharmaceutical Substances (INN), |
Source
Source(1):