| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5266838
Max Phase: Preclinical
Molecular Formula: C17H18N6O
Molecular Weight: 322.37
Associated Items:
Representations
Canonical SMILES: O=c1[nH]ncn1-c1ccc(-c2ccc(N3CCNCC3)nc2)cc1
Standard InChI: InChI=1S/C17H18N6O/c24-17-21-20-12-23(17)15-4-1-13(2-5-15)14-3-6-16(19-11-14)22-9-7-18-8-10-22/h1-6,11-12,18H,7-10H2,(H,21,24)
Standard InChI Key: JASKIAKXFGASHC-UHFFFAOYSA-N
Associated Targets(Human)
Glucose-dependent insulinotropic receptor 4762 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 322.37 | Molecular Weight (Monoisotopic): 322.1542 | AlogP: 1.03 | #Rotatable Bonds: 3 |
| Polar Surface Area: 78.84 | Molecular Species: BASE | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.50 | CX Basic pKa: 8.69 | CX LogP: 1.53 | CX LogD: 0.47 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.75 | Np Likeness Score: -1.55 |
References
| 1. Kerru N, Singh-Pillay A, Awolade P, Singh P.. (2018) Current anti-diabetic agents and their molecular targets: A review., 152 [PMID:29751237] [10.1016/j.ejmech.2018.04.061] |
Source
Source(1):