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Compound Detail

CHEMBL3359351

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Cc1nc(Nc2ccc(C(C)C)cc2)nc(SC(C(N)=O)c2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3359351
Phase Preclinical
Structure Type MOL
InChI Key KNFSKHFFBITTRN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
4.37
ALogP
6
HBA
2
HBD
93.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N5OS
MW 393.52
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
25453800 10.1016/j.bmcl.2014.10.031 RAW264.7 3

Data from ChEMBL 36 via Core Engine