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Compound Detail

CHEMBL4087841

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COc1ccc(NC(=S)NCCN(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4087841
Phase Preclinical
Structure Type MOL
InChI Key KJWXBRPRFNDJDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

253.4
MW (Da)
1.54
ALogP
3
HBA
2
HBD
36.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H19N3OS
MW 253.37
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.96

Literature References

PubMed DOI Target Context # Activities
28433681 10.1016/j.ejmech.2017.03.050 Anopheles gambiae 14
28433681 10.1016/j.ejmech.2017.03.050 Aedes aegypti 14
28433681 10.1016/j.ejmech.2017.03.050 Acetylcholinesterase 5
28433681 10.1016/j.ejmech.2017.03.050 Unchecked 1

Data from ChEMBL 36 via Core Engine