| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2361938
Max Phase: Preclinical
Molecular Formula: C25H32FN3O5S
Molecular Weight: 505.61
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)Nc1ccc(F)cc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O
Standard InChI: InChI=1S/C25H32FN3O5S/c1-5-6-19-7-12-24-22(13-19)34-23(17(2)14-29(18(3)16-30)35(24,32)33)15-28(4)25(31)27-21-10-8-20(26)9-11-21/h5-13,17-18,23,30H,14-16H2,1-4H3,(H,27,31)/b6-5+/t17-,18+,23-/m0/s1
Standard InChI Key: MQBUIYBPLABUJR-ZXDYBIPMSA-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: 505.61 | Molecular Weight (Monoisotopic): 505.2047 | AlogP: 3.79 | #Rotatable Bonds: 6 |
| Polar Surface Area: 99.18 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.71 | CX Basic pKa: | CX LogP: 3.44 | CX LogD: 3.44 |
| Aromatic Rings: 2 | Heavy Atoms: 35 | QED Weighted: 0.62 | Np Likeness Score: -0.65 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):