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Compound Detail

CHEMBL488600

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COc1ccc2nc(SCc3n[nH]c4ccccc34)[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL488600
Phase Preclinical
Structure Type MOL
InChI Key JCHABRQKSUKSNP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.74
ALogP
4
HBA
2
HBD
66.6
PSA (Ų)
0.56
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 C16H14N4OS
MW 310.38
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
18818070 10.1016/j.bmcl.2008.09.033 Bombesin receptor subtype-3 1

Data from ChEMBL 36 via Core Engine