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Compound Detail

CHEMBL530558

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COc1ccc2nc(SCc3ccc(F)c(F)c3)[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL530558
Phase Preclinical
Structure Type MOL
InChI Key VIMVBNSBMXZSMJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
4.14
ALogP
3
HBA
1
HBD
37.9
PSA (Ų)
0.74
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 C15H12F2N2OS
MW 306.34
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.28

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