| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2144438
Max Phase: Preclinical
Molecular Formula: C19H24N4O3
Molecular Weight: 356.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1c(C)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1O
Standard InChI: InChI=1S/C19H24N4O3/c1-3-15-13(2)20-19(21-18(15)24)23-8-6-22(7-9-23)11-14-4-5-16-17(10-14)26-12-25-16/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,20,21,24)
Standard InChI Key: RXVRSGCRAIVEPQ-UHFFFAOYSA-N
Associated Targets(Human)
Glycoprotein hormones alpha chain 29278 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: 356.43 | Molecular Weight (Monoisotopic): 356.1848 | AlogP: 2.10 | #Rotatable Bonds: 4 |
| Polar Surface Area: 70.95 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.77 | CX Basic pKa: 6.70 | CX LogP: 3.41 | CX LogD: 3.33 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.90 | Np Likeness Score: -1.38 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):