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Compound Detail

CHEMBL3793950

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CC(C)NC(=S)Nc1nc2c(s1)CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3793950
Phase Preclinical
Structure Type MOL
InChI Key GYOSVYBVVSTBKS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

255.4
MW (Da)
2.72
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H17N3S2
MW 255.41
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -2.66

Literature References

PubMed DOI Target Context # Activities
27031211 10.1016/j.ejmech.2016.03.028 Thoracic aorta 1

Data from ChEMBL 36 via Core Engine