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Compound Detail

CHEMBL3546496

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N#Cc1cccc(Nc2nccc(N3CCC(NS(=O)(=O)c4cccc(C#N)c4)CC3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546496
Phase Preclinical
Structure Type MOL
InChI Key CFQULAINMGZGLD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
2.91
ALogP
8
HBA
2
HBD
134.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N7O2S
MW 459.54
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -2.10

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Methionyl-tRNA synthetase, putative 2

Data from ChEMBL 36 via Core Engine