| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2204980
Max Phase: Preclinical
Molecular Formula: C23H26F3N7O2
Molecular Weight: 489.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)C(=O)c1ccc(Nc2ncnc(N3CCC(c4nc(C(C)(C)F)no4)CC3)c2F)c(F)c1
Standard InChI: InChI=1S/C23H26F3N7O2/c1-23(2,26)22-30-20(35-31-22)13-7-9-33(10-8-13)19-17(25)18(27-12-28-19)29-16-6-5-14(11-15(16)24)21(34)32(3)4/h5-6,11-13H,7-10H2,1-4H3,(H,27,28,29)
Standard InChI Key: XGJZRVVCWLCQCJ-UHFFFAOYSA-N
Associated Targets(Human)
Glucose-dependent insulinotropic receptor 4762 Activities
Associated Targets(non-human)
Rhesus monkey 3147 Activities
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Canis familiaris 36305 Activities
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Rattus norvegicus 775804 Activities
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Mus musculus 284745 Activities
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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 |
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Properties
| Molecular Weight: 489.50 | Molecular Weight (Monoisotopic): 489.2100 | AlogP: 4.17 | #Rotatable Bonds: 6 |
| Polar Surface Area: 100.28 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.73 | CX Basic pKa: 3.59 | CX LogP: 3.88 | CX LogD: 3.88 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.55 | Np Likeness Score: -2.02 |
References
| 1. Abdel-Magid AF.. (2012) GPR119 Modulators for the Treatment of Diabetes, Obesity, and Related Diseases: Patent Highlight., 3 (12): [PMID:24900416] [10.1021/ml300296q] |
Source
Source(1):