| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2362253
Max Phase: Preclinical
Molecular Formula: C32H38N4O6
Molecular Weight: 574.68
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(NC(=O)N(C)C[C@@H]2Oc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
Standard InChI: InChI=1S/C32H38N4O6/c1-21-18-36(22(2)20-37)31(39)27-17-25(33-30(38)16-23-8-6-5-7-9-23)12-15-28(27)42-29(21)19-35(3)32(40)34-24-10-13-26(41-4)14-11-24/h5-15,17,21-22,29,37H,16,18-20H2,1-4H3,(H,33,38)(H,34,40)/t21-,22-,29+/m1/s1
Standard InChI Key: RAQZTOHDQBTNNL-QLVXXPONSA-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: 574.68 | Molecular Weight (Monoisotopic): 574.2791 | AlogP: 4.26 | #Rotatable Bonds: 9 |
| Polar Surface Area: 120.44 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.76 | CX Basic pKa: | CX LogP: 3.34 | CX LogD: 3.34 |
| Aromatic Rings: 3 | Heavy Atoms: 42 | QED Weighted: 0.35 | Np Likeness Score: -0.76 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):