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Compound Detail

CHEMBL602315

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O=C1NC(=O)/C(=C\c2ccc(N3CCCC3)c(F)c2)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL602315
Phase Preclinical
Structure Type MOL
InChI Key CRSVSWFCJATEAO-XYOKQWHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
2.75
ALogP
4
HBA
1
HBD
49.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13FN2O2S
MW 292.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.76

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