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Compound Detail

CHEMBL1508334

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Cc1nc(Nc2nc(O)cc(-c3ccccc3)n2)nc2ccccc12

Basic Information

ChEMBL ID CHEMBL1508334
Phase Preclinical
Structure Type MOL
InChI Key VCZKMOAQDFHXKR-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.84
ALogP
6
HBA
2
HBD
83.8
PSA (Ų)
0.59
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 C19H15N5O
MW 329.36
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.23

Activity Summary

EC50 4 meas. best 5.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptococcus sp. 'group A'
CHEMBL612389
EC50 5.31 5.31 4946.0 1
Streptokinase A
CHEMBL1293228
EC50 5.25 5.25 5669.0 1
Streptococcus
CHEMBL612313
EC50 5.1 5.1 8019.0 1
Unchecked
CHEMBL612545
EC50 4.92 4.92 11900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine