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ID: ALA403239
Max Phase: Preclinical
Molecular Formula: C6H7NO2
Molecular Weight: 125.13
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): 2-Aminoresorcinol
Synonyms from Alternative Forms(1):
Canonical SMILES: Nc1c(O)cccc1O
Standard InChI: InChI=1S/C6H7NO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H,7H2
Standard InChI Key: JEPCLNGRAIMPQV-UHFFFAOYSA-N
Associated Targets(non-human)
Sucrase-isomaltase 908 Activities
Alpha-galactosidase 39 Activities
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Beta-galactosidase 500 Activities
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Alpha-amylase 3 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 |
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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: 125.13 | Molecular Weight (Monoisotopic): 125.0477 | AlogP: 0.68 | #Rotatable Bonds: 0 |
| Polar Surface Area: 66.48 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.10 | CX Basic pKa: 4.63 | CX LogP: 0.54 | CX LogD: 0.54 |
| Aromatic Rings: 1 | Heavy Atoms: 9 | QED Weighted: 0.35 | Np Likeness Score: 0.38 |
References
| 1. Gao H, Kawabata J.. (2008) 2-Aminoresorcinol is a potent alpha-glucosidase inhibitor., 18 (2): [PMID:18039578] [10.1016/j.bmcl.2007.11.032] |
Source
Source(1):