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Compound Detail

CHEMBL3649510

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COc1ccc(N/C(=C/[N+](=O)[O-])NCCCn2cnc(C)c2)cc1OC

Basic Information

ChEMBL ID CHEMBL3649510
Phase Preclinical
Structure Type MOL
InChI Key WEHWOHAOZUUTLE-GZTJUZNOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
2.38
ALogP
8
HBA
2
HBD
103.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23N5O4
MW 361.40
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutaminyl-peptide cyclotransferase-like protein
CHEMBL3638349
IC50 5.06 5.06 8730.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine