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Compound Detail

CHEMBL112834

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CCCCn1c(Cc2ccc(OC)cc2)nc2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL112834
Phase Preclinical
Structure Type MOL
InChI Key NVYATAJRTRFKSW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
2.81
ALogP
6
HBA
1
HBD
78.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H21N5O
MW 311.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
14698151 10.1016/j.bmcl.2003.11.011 Heat shock protein HSP90 1

Data from ChEMBL 36 via Core Engine