1-((Morpholin-4-yl)-(thiophen-2-yl)-methyl)naphthalen-2-ol

ID: ALA3793976

Chembl Id: CHEMBL3793976

PubChem CID: 11313367

Max Phase: Preclinical

Molecular Formula: C19H19NO2S

Molecular Weight: 325.43

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  Oc1ccc2ccccc2c1C(c1cccs1)N1CCOCC1

Standard InChI:  InChI=1S/C19H19NO2S/c21-16-8-7-14-4-1-2-5-15(14)18(16)19(17-6-3-13-23-17)20-9-11-22-12-10-20/h1-8,13,19,21H,9-12H2

Standard InChI Key:  WNUGMTOWTQIAIH-UHFFFAOYSA-N

Alternative Forms

Associated Targets(non-human)

Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterococcus faecalis (29875 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterobacter cloacae (7976 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Citrobacter freundii (1864 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Proteus vulgaris (5823 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: 325.43Molecular Weight (Monoisotopic): 325.1136AlogP: 4.03#Rotatable Bonds: 3
Polar Surface Area: 32.70Molecular Species: NEUTRALHBA: 4HBD: 1
#RO5 Violations: 0HBA (Lipinski): 3HBD (Lipinski): 1#RO5 Violations (Lipinski): 0
CX Acidic pKa: 8.64CX Basic pKa: 7.62CX LogP: 3.65CX LogD: 3.44
Aromatic Rings: 3Heavy Atoms: 23QED Weighted: 0.79Np Likeness Score: -1.17

References

1. Roman G, Năstasă V, Bostănaru AC, Mareş M..  (2016)  Antibacterial activity of Mannich bases derived from 2-naphthols, aromatic aldehydes and secondary aliphatic amines.,  26  (10): [PMID:27040660] [10.1016/j.bmcl.2016.03.098]

Source