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Compound Detail

CHEMBL5398462

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O=C1/C(=C/c2n[nH]c3ccccc23)NC(=S)N1CCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5398462
Phase Preclinical
Structure Type MOL
InChI Key IURIAYRVJIYMKR-XFFZJAGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
0.61
ALogP
4
HBA
3
HBD
81.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N4O2S
MW 288.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.13

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