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Compound Detail

CHEMBL5429469

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CN(C)CCN1C(=O)/C(=C/c2n[nH]c3ccccc23)NC1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5429469
Phase Preclinical
Structure Type MOL
InChI Key VBUNGYKQBZYZRR-LCYFTJDESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
1.18
ALogP
4
HBA
2
HBD
64.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N5OS
MW 315.40
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.39

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