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Compound Detail

CHEMBL1387605

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Oc1nc(-c2ccccn2)nc2sc(-c3ccccc3)cc12

Basic Information

ChEMBL ID CHEMBL1387605
Phase Preclinical
Structure Type MOL
InChI Key IKCQYPIFZFLJAS-UHFFFAOYSA-N
6
Targets
13
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
4.13
ALogP
5
HBA
1
HBD
58.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11N3OS
MW 305.36
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.68

Activity Summary

EC50 11 meas. best 6.67
IC50 2 meas. best 6.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.67 5.6625 216.0 4
Streptokinase A
CHEMBL1293228
EC50 6.58 6.58 261.0 1
Unchecked
CHEMBL612545
IC50 6.41 6.41 391.0 1
Streptococcus sp. 'group A'
CHEMBL612389
EC50 6.24 6.24 571.0 1
Kappa-type opioid receptor
CHEMBL237
IC50 5.75 5.75 1790.0 1
Streptococcus
CHEMBL612313
EC50 4.88 4.88 13204.0 1
BJ
CHEMBL614358
EC50 4.81 4.7833 15616.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine