| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2144092
Max Phase: Preclinical
Molecular Formula: C11H17N5O3
Molecular Weight: 267.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(CCNc1nnc(O)nc1O)N1CCCCC1
Standard InChI: InChI=1S/C11H17N5O3/c17-8(16-6-2-1-3-7-16)4-5-12-9-10(18)13-11(19)15-14-9/h1-7H2,(H,12,14)(H2,13,15,18,19)
Standard InChI Key: SADJMAKSZWYUNI-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: 267.29 | Molecular Weight (Monoisotopic): 267.1331 | AlogP: 0.10 | #Rotatable Bonds: 4 |
| Polar Surface Area: 111.47 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.28 | CX Basic pKa: 2.61 | CX LogP: 0.01 | CX LogD: 0.01 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.71 | Np Likeness Score: -1.32 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):