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Compound Detail

CHEMBL599975

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CCCOc1c(Br)cc(/C=C2\SC(=O)NC2=O)cc1OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL599975
Phase Preclinical
Structure Type MOL
InChI Key KKLMZTJDBVJOGH-WQLSENKSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

386.3
MW (Da)
3.96
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16BrNO4S
MW 386.27
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
20178321 10.1021/jm901798e Insulin-like growth factor 1 receptor 1
20178321 10.1021/jm901798e Insulin receptor 1
20178321 10.1021/jm901798e MCF7 1

Data from ChEMBL 36 via Core Engine