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Compound Detail

CHEMBL364730

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C#CCCCn1c(Sc2ccc(-n3cccc3)cc2)nc2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL364730
Phase Preclinical
Structure Type MOL
InChI Key CWGISTTUWFSZCN-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
3.76
ALogP
7
HBA
1
HBD
74.5
PSA (Ų)
0.41
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 C20H18N6S
MW 374.47
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.59

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
15828828 10.1021/jm049012b Heat shock protein HSP 90-alpha 1
15828828 10.1021/jm049012b Heat shock protein HSP90 1
15828828 10.1021/jm049012b SK-BR-3 1

Data from ChEMBL 36 via Core Engine