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Compound Detail

CHEMBL3361256

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CN(C)[C@H]1CC[C@H](Nc2ncnc3sc4ccccc4c23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3361256
Phase Preclinical
Structure Type MOL
InChI Key CTQOHWQVVRHQMR-JOCQHMNTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.5
MW (Da)
4.13
ALogP
5
HBA
1
HBD
41.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4S
MW 326.47
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
25479567 10.1021/jm5016044 Interleukin-1 receptor-associated kinase 4 1

Data from ChEMBL 36 via Core Engine