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Compound Detail

CHEMBL5396882

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CC(=O)NCCN1C(=O)/C(=C/c2n[nH]c3ccccc23)NC1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5396882
Phase Preclinical
Structure Type MOL
InChI Key BMWQTJNKPBNXIJ-JYRVWZFOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
0.76
ALogP
4
HBA
3
HBD
90.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N5O2S
MW 329.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.45

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