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Compound Detail

CHEMBL4283272

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COCCN/C(=C1/N=CN(CCOC)C1=O)c1[nH]c2ccccc2c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4283272
Phase Preclinical
Structure Type MOL
InChI Key CXNAAURGZQZPOR-WUKNDPDISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.3
MW (Da)
2.35
ALogP
5
HBA
2
HBD
79.0
PSA (Ų)
0.51
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 C18H21BrN4O3
MW 421.30
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
30165342 10.1016/j.ejmech.2018.08.045 Calpain-1 catalytic subunit 2

Data from ChEMBL 36 via Core Engine