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Compound Detail

CHEMBL3259980

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O=C(c1nccs1)c1c[nH]c2ccccc12

Basic Information

ChEMBL ID CHEMBL3259980
Phase Preclinical
Structure Type MOL
InChI Key DFYPIVYFSGGXGT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
2.86
ALogP
3
HBA
1
HBD
45.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H8N2OS
MW 228.28
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
24697522 10.1021/np500144t NON-PROTEIN TARGET 3
35416668 10.1021/acs.jmedchem.2c00208 Aryl hydrocarbon receptor 2
24697522 10.1021/np500144t Staphylococcus aureus 1
24697522 10.1021/np500144t Amorphotheca resinae 1
24697522 10.1021/np500144t Candida albicans 1
24697522 10.1021/np500144t Schizosaccharomyces pombe 1
24697522 10.1021/np500144t Escherichia coli 1
24697522 10.1021/np500144t Chromobacterium violaceum 1
24697522 10.1021/np500144t Pseudomonas aeruginosa 1
24697522 10.1021/np500144t Paenibacillus polymyxa 1
24697522 10.1021/np500144t Micrococcus luteus 1
24697522 10.1021/np500144t Mycolicibacterium diernhoferi 1
24697522 10.1021/np500144t Pichia membranifaciens 1
24697522 10.1021/np500144t Nocardia sp. 1
24697522 10.1021/np500144t L929 1
24697522 10.1021/np500144t Aspergillus clavatus 1
24697522 10.1021/np500144t Mucor hiemalis 1
24697522 10.1021/np500144t Eremothecium coryli 1
24697522 10.1021/np500144t Rhodotorula glutinis 1
24697522 10.1021/np500144t Saccharomyces cerevisiae 1

Data from ChEMBL 36 via Core Engine