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Compound Detail

CHEMBL2089124

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C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1

Basic Information

ChEMBL ID CHEMBL2089124
Phase Preclinical
Structure Type MOL
InChI Key FQYDWPUFKSYEEG-ONGXEEELSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
0.57
ALogP
6
HBA
5
HBD
147.0
PSA (Ų)
0.20
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N6O2S
MW 362.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.72

Activity Summary

Ki 1 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Suppressor of tumorigenicity 14 protein
CHEMBL3018
Ki 8.85 8.85 1.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24900505 10.1021/ml3000534 Suppressor of tumorigenicity 14 protein 1

Data from ChEMBL 36 via Core Engine