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Compound Detail

CHEMBL1082229

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CCCCn1c(Cc2ccc(OC)c(OC)c2OC)nc2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1082229
Phase Preclinical
Structure Type MOL
InChI Key FVVMWKIJZDBLMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
2.83
ALogP
8
HBA
1
HBD
97.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25N5O3
MW 371.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
20055425 10.1021/jm9004708 Heat shock protein HSP 90-beta 1

Data from ChEMBL 36 via Core Engine