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Compound Detail

CHEMBL5430036

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Cc1[nH]c2ccccc2c1/C=C1\NC(=S)N(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5430036
Phase Preclinical
Structure Type MOL
InChI Key QBGKHNZNVBCBKK-GHXNOFRVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
2.16
ALogP
2
HBA
2
HBD
48.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3OS
MW 271.35
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.85

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