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Compound Detail

CHEMBL3144675

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CC(C)(C)c1ccc(-n2[nH]c(N)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1

Basic Information

ChEMBL ID CHEMBL3144675
Phase Preclinical
Structure Type MOL
InChI Key SJVWYAVTWVXNDB-OCEACIFDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.5
MW (Da)
4.57
ALogP
8
HBA
4
HBD
163.1
PSA (Ų)
0.25
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 C23H23N5O5S
MW 481.53
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.66

Activity Summary

EC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
EC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11606138 10.1021/jm010283l Thrombopoietin receptor 2

Data from ChEMBL 36 via Core Engine