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Compound Detail

CHEMBL1544371

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Cl.Oc1ccc(COCc2ccccc2)c2cccnc12

Basic Information

ChEMBL ID CHEMBL1544371
Phase Preclinical
Structure Type MOL
InChI Key ZHDHOHOGEBIQRP-UHFFFAOYSA-N
Parent Compound CHEMBL1472795
Active Moiety CHEMBL1472795
4
Targets
10
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
3.66
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.78
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 C17H16ClNO2
MW 301.77
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.42

Activity Summary

EC50 6 meas. best 5.91
IC50 4 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.91 5.32 1240.0 3
Streptokinase A
CHEMBL1293228
EC50 5.73 5.73 1852.0 1
Streptococcus sp. 'group A'
CHEMBL612389
EC50 5.67 5.67 2137.0 1
Unchecked
CHEMBL612545
IC50 5.52 4.7025 2996.0 4
Streptococcus
CHEMBL612313
EC50 5.49 5.49 3246.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine