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Compound Detail

CHEMBL591704

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CCCCOc1ccc(/C=C2\SC(=O)NC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL591704
Phase Preclinical
Structure Type MOL
InChI Key AFCIKPDGHNLMNQ-XFXZXTDPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
3.19
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15NO3S
MW 277.35
Aromatic Rings 1
Heavy Atoms 19
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