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Compound Detail

CHEMBL1470925

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Cc1cc(NCc2ccccn2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1

Basic Information

ChEMBL ID CHEMBL1470925
Phase Preclinical
Structure Type MOL
InChI Key GGELKXVVOOVMHD-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.9
MW (Da)
4.67
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18ClN5
MW 363.85
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.15

Activity Summary

EC50 3 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptococcus sp. 'group A'
CHEMBL612389
EC50 5.54 5.54 2890.0 1
Streptokinase A
CHEMBL1293228
EC50 5.36 5.36 4358.0 1
Streptococcus
CHEMBL612313
EC50 5.16 5.16 6903.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine