Nannozinone A

ID: ALA3355650

Chembl Id: CHEMBL3355650

PubChem CID: 101889902

Max Phase: Preclinical

Molecular Formula: C15H16N2O

Molecular Weight: 240.31

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  O=c1cnc(CCc2ccccc2)c2n1CCC2

Standard InChI:  InChI=1S/C15H16N2O/c18-15-11-16-13(14-7-4-10-17(14)15)9-8-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2

Standard InChI Key:  YCDNFIFPTPRDLT-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA3355650

    Nannozinone A

Associated Targets(Human)

A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A-431 (6446 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HUVEC (11049 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

L929 (3802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mucor hiemalis (184 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wickerhamomyces anomalus (305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Saccharomyces cerevisiae (19171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Chromobacterium violaceum (349 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Paenibacillus polymyxa (51 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycolicibacterium diernhoferi (48 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nocardia sp. (39 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: YesOral: 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: 240.31Molecular Weight (Monoisotopic): 240.1263AlogP: 1.97#Rotatable Bonds: 3
Polar Surface Area: 34.89Molecular Species: NEUTRALHBA: 3HBD: 0
#RO5 Violations: 0HBA (Lipinski): 3HBD (Lipinski): 0#RO5 Violations (Lipinski): 0
CX Acidic pKa: CX Basic pKa: 0.51CX LogP: 2.48CX LogD: 2.48
Aromatic Rings: 2Heavy Atoms: 18QED Weighted: 0.82Np Likeness Score: -0.79

References

1. Jansen R, Sood S, Mohr KI, Kunze B, Irschik H, Stadler M, Müller R..  (2014)  Nannozinones and sorazinones, unprecedented pyrazinones from myxobacteria.,  77  (11): [PMID:25397992] [10.1021/np500632c]

Source