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Compound Detail

CHEMBL11991

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C=Cc1[nH]ccc2c3ccccc3nc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11991
Phase Preclinical
Structure Type MOL
InChI Key LXQSIICQACNSSW-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

194.2
MW (Da)
3.31
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H10N2
MW 194.24
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.36

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
6127411 10.1021/jm00351a015 GABA-A receptor; anion channel 1
19220033 10.1021/np8007655 Trichophyton mentagrophytes 1
19220033 10.1021/np8007655 Candida albicans 1
19220033 10.1021/np8007655 Bacillus subtilis 1
19220033 10.1021/np8007655 P388 1

Data from ChEMBL 36 via Core Engine