| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3916767
Max Phase: Preclinical
Molecular Formula: C24H23ClFN3O4
Molecular Weight: 471.92
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1
Standard InChI: InChI=1S/C24H23ClFN3O4/c25-16-3-6-19-15(12-16)13-21(27-19)23(32)28-20(11-14-1-4-17(26)5-2-14)22(31)24(33)29-9-7-18(30)8-10-29/h1-6,12-13,18,20,27,30H,7-11H2,(H,28,32)/t20-/m0/s1
Standard InChI Key: VCKKIPCWUZKXJQ-FQEVSTJZSA-N
Associated Targets(Human)
Liver glycogen phosphorylase 1040 Activities
Associated Targets(non-human)
Glycogen phosphorylase, muscle form 1331 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 471.92 | Molecular Weight (Monoisotopic): 471.1361 | AlogP: 2.85 | #Rotatable Bonds: 6 |
| Polar Surface Area: 102.50 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.76 | CX LogD: 2.76 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.48 | Np Likeness Score: -1.02 |
References
| 1. Galal SA, Khattab M, Andreadaki F, Chrysina ED, Praly JP, Ragab FAF, El Diwani HI.. (2016) Synthesis of (benzimidazol-2-yl)aniline derivatives as glycogen phosphorylase inhibitors., 24 (21): [PMID:27624527] [10.1016/j.bmc.2016.08.069] |
Source
Source(1):