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Compound Detail

CHEMBL5630935

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Cc1nsc(-c2nnc3n2CCN(C(=O)C#Cc2cccs2)C3C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5630935
Phase Preclinical
Structure Type MOL
InChI Key IRLNJKPLPPRWAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
2.12
ALogP
8
HBA
0
HBD
76.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N6OS2
MW 370.46
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
37247507 10.1016/j.ejmech.2023.115486 Neuromedin-K receptor 2

Data from ChEMBL 36 via Core Engine