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Compound Detail

CHEMBL326523

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C#CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL326523
Phase Preclinical
Structure Type MOL
InChI Key WUJFGZAAFADPSF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

415.9
MW (Da)
3.09
ALogP
8
HBA
1
HBD
97.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H22ClN5O3
MW 415.88
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
17603540 10.1038/nchembio.2007.10 Heat shock protein HSP 90-beta 92
17603540 10.1038/nchembio.2007.10 Unchecked 6
17603540 10.1038/nchembio.2007.10 NCI-H417 2
14698151 10.1016/j.bmcl.2003.11.011 Heat shock protein HSP90 1

Data from ChEMBL 36 via Core Engine