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Compound Detail

CHEMBL2251726

PROPYL ISOTHIOCYANATE
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Basic Information

ChEMBL ID CHEMBL2251726
Name PROPYL ISOTHIOCYANATE
Phase Preclinical
Structure Type MOL
InChI Key KKASGUHLXWAKEZ-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

101.2
MW (Da)
1.50
ALogP
2
HBA
0
HBD
12.4
PSA (Ų)
0.38
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 C4H7NS
MW 101.17
Aromatic Rings 0
Heavy Atoms 6
NP-Likeness 0.43

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0323-4 Rhizoctonia solani 6
- 10.1007/s00044-012-0323-4 Pectobacterium carotovorum 6
- 10.1016/j.cropro.2010.09.004 Meloidogyne javanica 2
- 10.1007/s00044-012-0323-4 No relevant target 1
26639764 10.1016/j.bmcl.2015.11.045 LoVo 1
26639764 10.1016/j.bmcl.2015.11.045 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine