2-(2-aminophenyl)ethanol

ID: ALA4095436

Chembl Id: CHEMBL4095436

Cas Number: 5339-85-5

PubChem CID: 79282

Product Number: A471268

Max Phase: Preclinical

Molecular Formula: C8H11NO

Molecular Weight: 137.18

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

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

Alternative Forms

  1. Parent:

Associated Targets(Human)

HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC26A4 Tbio Pendrin (86 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 137.18Molecular Weight (Monoisotopic): 137.0841AlogP: 0.80#Rotatable Bonds: 2
Polar Surface Area: 46.25Molecular Species: NEUTRALHBA: 2HBD: 2
#RO5 Violations: HBA (Lipinski): 2HBD (Lipinski): 3#RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 4.10CX LogP: 0.67CX LogD: 0.67
Aromatic Rings: 1Heavy Atoms: 10QED Weighted: 0.59Np 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