| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3182778
Max Phase: Preclinical
Molecular Formula: C20H25FN2O4
Molecular Weight: 376.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1cccc(F)c1
Standard InChI: InChI=1S/C20H25FN2O4/c21-15-6-4-5-14(11-15)20(26)22-17-8-7-16(27-18(17)13-24)12-19(25)23-9-2-1-3-10-23/h4-8,11,16-18,24H,1-3,9-10,12-13H2,(H,22,26)/t16-,17+,18+/m1/s1
Standard InChI Key: OBLOMLUGULHTJL-SQNIBIBYSA-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: 376.43 | Molecular Weight (Monoisotopic): 376.1798 | AlogP: 1.64 | #Rotatable Bonds: 5 |
| Polar Surface Area: 78.87 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.19 | CX LogD: 1.19 |
| Aromatic Rings: 1 | Heavy Atoms: 27 | QED Weighted: 0.77 | Np Likeness Score: -0.44 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):