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Compound Detail

CHEMBL3144787

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Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12

Basic Information

ChEMBL ID CHEMBL3144787
Phase Preclinical
Structure Type MOL
InChI Key HYOUQMQHIDIHNP-GHVJWSGMSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

458.9
MW (Da)
4.65
ALogP
7
HBA
3
HBD
137.1
PSA (Ų)
0.30
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 C20H15ClN4O5S
MW 458.88
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.85

Activity Summary

EC50 2 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Molecular identity unknown
CHEMBL612546
EC50 6.3 6.3 500.0 1
Thrombopoietin receptor
CHEMBL1864
EC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11606138 10.1021/jm010283l Thrombopoietin receptor 2
11606138 10.1021/jm010283l Unchecked 1
11606138 10.1021/jm010283l Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine