RITLECITINIB TOSYLATE
ID: ALA5314649
Chembl Id: CHEMBL5314649
Max Phase: Approved
First Approval: 2023
Molecular Formula: C22H27N5O4S
Molecular Weight: 285.35
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Synonyms: Pf-06651600 tosylate | Ritlecitinib tosilate | Ritlecitinib toslate
Trade Names(1): Litfulo
Canonical SMILES: C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C.Cc1ccc(S(=O)(=O)O)cc1
Standard InChI: InChI=1S/C15H19N5O.C7H8O3S/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15;1-6-2-4-7(5-3-6)11(8,9)10/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19);2-5H,1H3,(H,8,9,10)/t10-,11+;/m0./s1
Standard InChI Key: YOZLVAFWYLSRRN-VZXYPILPSA-N
Molecule Features
| Natural Product: No | Oral: Yes | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: Yes |
| Chirality: Yes | Availability: Yes | 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 |
|---|
Calculated Properties
| Molecular Weight: 285.35 | Molecular Weight (Monoisotopic): 285.1590 | AlogP: 1.94 | #Rotatable Bonds: 3 |
| Polar Surface Area: 73.91 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.59 | CX Basic pKa: 6.60 | CX LogP: 1.47 | CX LogD: 1.40 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.85 | Np Likeness Score: -0.84 |
References
| 1. Unpublished dataset, |
Source
Source(1):