| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2362391
Max Phase: Preclinical
Molecular Formula: C25H31N5O5
Molecular Weight: 481.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccccc1NC(=O)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3OC)nn2)O[C@@H]1CO
Standard InChI: InChI=1S/C25H31N5O5/c1-33-22-9-5-3-7-18(22)21-15-30(29-28-21)14-13-17-11-12-20(24(16-31)35-17)27-25(32)26-19-8-4-6-10-23(19)34-2/h3-10,15,17,20,24,31H,11-14,16H2,1-2H3,(H2,26,27,32)/t17-,20-,24-/m1/s1
Standard InChI Key: RQHBGYFBWJICEJ-WSCWJOSJSA-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: 481.55 | Molecular Weight (Monoisotopic): 481.2325 | AlogP: 3.08 | #Rotatable Bonds: 9 |
| Polar Surface Area: 119.76 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.97 | CX Basic pKa: | CX LogP: 2.58 | CX LogD: 2.58 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.43 | Np Likeness Score: -0.69 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):