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Compound Detail

CHEMBL5403712

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CN1C(=O)/C(=C/c2cncnc2)NC1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5403712
Phase Preclinical
Structure Type MOL
InChI Key BSYFYFLQJULWRE-UQCOIBPSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

220.3
MW (Da)
0.16
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H8N4OS
MW 220.26
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
37348572 10.1016/j.bmcl.2023.129383 Aryl hydrocarbon receptor 1

Data from ChEMBL 36 via Core Engine