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Compound Detail

CHEMBL2170941

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CCN1CCCC1CNC(=O)c1ccc2c(c1)NC(=O)CS2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170941
Phase Preclinical
Structure Type MOL
InChI Key MKEVLCTWFZMTOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
1.94
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21N3O2S
MW 319.43
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
22813531 10.1021/jm300833h Glucose-6-phosphate 1-dehydrogenase 1

Data from ChEMBL 36 via Core Engine