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Compound Detail

CHEMBL187408

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N#CCCCOc1ccc(-c2cn[nH]c2-c2cc(Cl)c(O)cc2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL187408
Phase Preclinical
Structure Type MOL
InChI Key UHKRMOCPTKJVBO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

369.8
MW (Da)
4.49
ALogP
5
HBA
3
HBD
102.2
PSA (Ų)
0.56
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 C19H16ClN3O3
MW 369.81
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
15955698 10.1016/j.bmcl.2005.05.046 ATP-dependent molecular chaperone HSP82 1
15955698 10.1016/j.bmcl.2005.05.046 HCT-116 1

Data from ChEMBL 36 via Core Engine