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Compound Detail

CHEMBL1770212

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C[N+](C)(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1770212
Phase Preclinical
Structure Type MOL
InChI Key VQYXBFZEJYKHKT-UHFFFAOYSA-N
Parent Compound CHEMBL395926
Active Moiety CHEMBL395926
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
3.48
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22IN3O2
MW 487.34
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
21367493 10.1016/j.ejmech.2011.02.005 Unchecked 1
21367493 10.1016/j.ejmech.2011.02.005 SH-SY5Y 1

Data from ChEMBL 36 via Core Engine