| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4095436
Max Phase: Preclinical
Molecular Formula: C8H11NO
Molecular Weight: 137.18
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1ccccc1CCO
Standard InChI: InChI=1S/C8H11NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6,9H2
Standard InChI Key: ILDXSRFKXABMHH-UHFFFAOYSA-N
Associated Targets(Human)
HEK293 (82097 Activities)
SLC26A4 Tbio Pendrin (86 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 137.18 | Molecular Weight (Monoisotopic): 137.0841 | AlogP: 0.80 | #Rotatable Bonds: 2 |
| Polar Surface Area: 46.25 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.10 | CX LogP: 0.67 | CX LogD: 0.67 |
| Aromatic Rings: 1 | Heavy Atoms: 10 | QED Weighted: 0.59 | Np Likeness Score: 0.39 |
References
| 1. Nabeyama W, Ishihara K, Ban HS, Wada H, Nakamura H.. (2017) Discovery of (2-aminophenyl)methanol as a new molecular chaperone that rescues the localization of P123S mutant pendrin stably expressed in HEK293 cells., 25 (9): [PMID:28341401] [10.1016/j.bmc.2017.03.024] |
Source
Source(1):