| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2362520
Max Phase: Preclinical
Molecular Formula: C21H24Cl2FN3O5S
Molecular Weight: 520.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1CC[C@H](CCNS(=O)(=O)c2cccc(F)c2)O[C@@H]1CO
Standard InChI: InChI=1S/C21H24Cl2FN3O5S/c22-13-8-14(23)10-16(9-13)26-21(29)27-19-5-4-17(32-20(19)12-28)6-7-25-33(30,31)18-3-1-2-15(24)11-18/h1-3,8-11,17,19-20,25,28H,4-7,12H2,(H2,26,27,29)/t17-,19+,20-/m1/s1
Standard InChI Key: DHADSNXZBKHBQF-YZGWKJHDSA-N
Associated Targets(Human)
Fibroblast growth factor 22 464 Activities
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: 520.41 | Molecular Weight (Monoisotopic): 519.0798 | AlogP: 3.53 | #Rotatable Bonds: 8 |
| Polar Surface Area: 116.76 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 4 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.36 | CX Basic pKa: | CX LogP: 2.99 | CX LogD: 2.99 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.43 | Np Likeness Score: -1.21 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):