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Compound Detail

CHEMBL1277451

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Cc1ccccc1-c1n[nH]c(=S)n1-c1cccc(C)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1277451
Phase Preclinical
Structure Type MOL
InChI Key XJUAMELQKYYAAH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
4.52
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.71
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 C17H17N3S
MW 295.41
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
20828889 10.1016/j.ejmech.2010.08.034 Urease 1

Data from ChEMBL 36 via Core Engine