| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5284750
Max Phase: Preclinical
Molecular Formula: C24H32N4O4S
Molecular Weight: 472.61
Associated Items:
Representations
Canonical SMILES: CCc1cnc(N2CCC(C(C)COC(=O)N3CCc4cc(S(C)(=O)=O)ccc43)CC2)nc1
Standard InChI: InChI=1S/C24H32N4O4S/c1-4-18-14-25-23(26-15-18)27-10-7-19(8-11-27)17(2)16-32-24(29)28-12-9-20-13-21(33(3,30)31)5-6-22(20)28/h5-6,13-15,17,19H,4,7-12,16H2,1-3H3
Standard InChI Key: XZSYLJROTVZWRR-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: 472.61 | Molecular Weight (Monoisotopic): 472.2144 | AlogP: 3.49 | #Rotatable Bonds: 6 |
| Polar Surface Area: 92.70 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.00 | CX LogP: 3.40 | CX LogD: 3.40 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.64 | Np Likeness Score: -1.27 |
References
| 1. Zhu Y, Zhao J, Luo L, Gao Y, Bao H, Li P, Zhang H.. (2021) Research progress of indole compounds with potential antidiabetic activity., 223 [PMID:34192642] [10.1016/j.ejmech.2021.113665] |
Source
Source(1):