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Compound Detail

CHEMBL4228352

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O=C(Nc1ncc(Cc2ccncc2)s1)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4228352
Phase Preclinical
Structure Type MOL
InChI Key DKFYYIJYLYWBEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
3.65
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3OS
MW 301.42
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.91

Literature References

PubMed DOI Target Context # Activities
29580849 10.1016/j.bmc.2018.01.024 Histoplasma capsulatum 4
29580849 10.1016/j.bmc.2018.01.024 Cryptococcus neoformans 4
29580849 10.1016/j.bmc.2018.01.024 No relevant target 3
29580849 10.1016/j.bmc.2018.01.024 ADMET 2
29580849 10.1016/j.bmc.2018.01.024 P388D1 1

Data from ChEMBL 36 via Core Engine