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Compound Detail

CHEMBL601494

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COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL601494
Phase Preclinical
Structure Type MOL
InChI Key KHJRKAAOXAPAJU-APSNUPSMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

410.3
MW (Da)
4.90
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.71
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 C18H13Cl2NO4S
MW 410.28
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.28

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