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Compound Detail

CHEMBL470807

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COc1ccc2sc(CCc3cc4c(cc3Cl)OCO4)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL470807
Phase Preclinical
Structure Type MOL
InChI Key POFRJLNLXBPFPR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.8
MW (Da)
4.47
ALogP
5
HBA
0
HBD
40.6
PSA (Ų)
0.70
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 C17H14ClNO3S
MW 347.82
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.26

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