| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3187697
Max Phase: Preclinical
Molecular Formula: C20H37N3O2
Molecular Weight: 351.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC(CC)CN1CCC(CN2C(=O)C(=O)NC[C@@H]2CC(C)C)CC1
Standard InChI: InChI=1S/C20H37N3O2/c1-5-16(6-2)13-22-9-7-17(8-10-22)14-23-18(11-15(3)4)12-21-19(24)20(23)25/h15-18H,5-14H2,1-4H3,(H,21,24)/t18-/m0/s1
Standard InChI Key: LCSSCVJJWFCSET-SFHVURJKSA-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: 351.54 | Molecular Weight (Monoisotopic): 351.2886 | AlogP: 2.51 | #Rotatable Bonds: 8 |
| Polar Surface Area: 52.65 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.92 | CX Basic pKa: 10.12 | CX LogP: 2.81 | CX LogD: 0.25 |
| Aromatic Rings: 0 | Heavy Atoms: 25 | QED Weighted: 0.68 | Np Likeness Score: -0.23 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):