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Compound Detail

CHEMBL4290906

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CN1/C(=C\C=C2/CCCC(/C=C/C3=[N+](C)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4290906
Phase Preclinical
Structure Type MOL
InChI Key GDIYMWAMJKRXRE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.1
MW (Da)
8.16
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H36ClN2+
MW 484.11
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.02

Literature References

PubMed DOI Target Context # Activities
30301675 10.1016/j.bmcl.2018.09.034 Chaperone SurA 1

Data from ChEMBL 36 via Core Engine