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Compound Detail

CHEMBL1327810

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CCC(=O)Oc1ccc(-c2nc(-c3cccnc3)no2)cc1

Basic Information

ChEMBL ID CHEMBL1327810
Phase Preclinical
Structure Type MOL
InChI Key HBZPNOOQJXGFBR-UHFFFAOYSA-N
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
3.11
ALogP
6
HBA
0
HBD
78.1
PSA (Ų)
0.54
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 C16H13N3O3
MW 295.30
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.48

Activity Summary

EC50 5 meas. best 6.36
IC50 2 meas. best 4.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.36 6.36 435.0 1
Streptokinase A
CHEMBL1293228
EC50 5.37 5.37 4304.0 1
Luciferin 4-monooxygenase
CHEMBL5567
EC50 5.36 5.36 4331.0 1
Streptococcus sp. 'group A'
CHEMBL612389
EC50 5.12 5.12 7508.0 1
Streptococcus
CHEMBL612313
EC50 5.04 5.04 9166.0 1
Unchecked
CHEMBL612545
IC50 4.54 4.54 28818.0 1
Mitochondrial import inner membrane translocase subunit TIM10
CHEMBL1741194
IC50 4.36 4.36 43400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine