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Compound Detail

CHEMBL1324227

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N#Cc1ccc(N2C(=O)[C@@H]3C(C(=O)c4ccc5ccccc5n4)=NN[C@@H]3C2=O)cc1

Basic Information

ChEMBL ID CHEMBL1324227
Phase Preclinical
Structure Type MOL
InChI Key XZQXLMOGBXORHQ-MJGOQNOKSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
1.81
ALogP
7
HBA
1
HBD
115.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H13N5O3
MW 395.38
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.15

Activity Summary

EC50 3 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endoribonuclease toxin MazF
CHEMBL1795096
EC50 6.57 5.5 271.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine