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Compound Detail

CHEMBL2413567

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c1ccc(-c2ccc(Cn3cc(CCCCc4cn(Cc5ccc(-c6ccccc6)cc5)nn4)nn3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2413567
Phase Preclinical
Structure Type MOL
InChI Key JODFBIPLIKIXBL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

524.7
MW (Da)
6.87
ALogP
6
HBA
0
HBD
61.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H32N6
MW 524.67
Aromatic Rings 6
Heavy Atoms 40
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
23770448 10.1016/j.ejmech.2013.05.016 Heat shock protein HSP 90-beta 1

Data from ChEMBL 36 via Core Engine