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Compound Detail

CHEMBL1454839

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c1ccc2sc(C3CCCNC3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1454839
Phase Preclinical
Structure Type MOL
InChI Key PXPKASSSZWCUJE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
2.76
ALogP
3
HBA
1
HBD
24.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N2S
MW 218.32
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine