| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3183978
Max Phase: Preclinical
Molecular Formula: C23H25FN4O3S
Molecular Weight: 456.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1C=NC(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5ccc(F)cc5)cc4[C@@H]32)=N1
Standard InChI: InChI=1S/C23H25FN4O3S/c1-14-12-25-23(26-14)32(30,31)28-10-9-18-21(13-29)27(2)20-8-5-16(11-19(20)22(18)28)15-3-6-17(24)7-4-15/h3-8,11-12,14,18,21-22,29H,9-10,13H2,1-2H3/t14?,18-,21-,22-/m1/s1
Standard InChI Key: UQGZZSUIIYPYNY-JRNADJLJSA-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: 456.54 | Molecular Weight (Monoisotopic): 456.1631 | AlogP: 2.83 | #Rotatable Bonds: 3 |
| Polar Surface Area: 85.57 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.67 | CX Basic pKa: 2.05 | CX LogP: 2.52 | CX LogD: 2.52 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.77 | Np Likeness Score: -0.05 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):