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Compound Detail

CHEMBL3649512

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Cc1cn(CCCN/C(=C\[N+](=O)[O-])Nc2ccc3c(c2)OCO3)cn1

Basic Information

ChEMBL ID CHEMBL3649512
Phase Preclinical
Structure Type MOL
InChI Key DRDRFTRZLLMRCL-CXUHLZMHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
2.09
ALogP
8
HBA
2
HBD
103.5
PSA (Ų)
0.43
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 C16H19N5O4
MW 345.36
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 4.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutaminyl-peptide cyclotransferase-like protein
CHEMBL3638349
IC50 4.98 4.98 10400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine