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Compound Detail

CHEMBL539163

TANAPROGET
🧪 Phase II
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🧪 Phase II
Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=S)N2

Basic Information

ChEMBL ID CHEMBL539163
Name TANAPROGET
Phase Phase II
Structure Type MOL
InChI Key PYVFWTPEBMRKSR-UHFFFAOYSA-N

Known Names

NSP-989 Tanaproget
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
11
Publications
2
Known Names

Molecular Properties

297.4
MW (Da)
3.53
ALogP
4
HBA
1
HBD
50.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -proget
USAN Year 2004

Extended Properties

Molecular Formula C16H15N3OS
MW 297.38
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.20

Activity Summary

EC50 2 meas. best 9.82
IC50 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 9.82 9.82 0.1 1
T47D
CHEMBL614361
EC50 9.82 9.82 0.1 1
Progesterone receptor
CHEMBL208
IC50 9.3 9.3 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
18318463 10.1021/jm701080t Progesterone receptor 2
- 10.6019/CHEMBL3301361 No relevant target 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
16078826 10.1021/jm050358b T47D 1
17681796 10.1016/j.bmc.2007.07.011 Cynomolgus monkey 1
20355713 10.1021/jm100052k Progesterone receptor 1
- 10.6019/CHEMBL3301361 ADMET 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/EOS300108 HepG2 1

Data from ChEMBL 36 via Core Engine