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Compound Detail

CHEMBL3143951

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CC(N)c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O.I
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3143951
Phase Preclinical
Structure Type MOL
InChI Key SKYXQXGAULMEOG-LYFROUKFSA-N
Parent Compound CHEMBL3301879
Active Moiety CHEMBL3301879
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
-1.80
ALogP
7
HBA
4
HBD
130.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H18IN3O5
MW 399.19
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.79

Activity Summary

EC50 1 meas. best 4.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Raji
CHEMBL614628
 EC50 4.35 4.35 44600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Raji EC50 = 44600.0 nM 4.35 Inhibitory concentration of the drug against the antigen production against P3HR... 8394933

Literature References

PubMed DOI Target Context # Activities
8394933 10.1021/jm00069a004 Homo sapiens 6
8394933 10.1021/jm00069a004 Raji 1

Data from ChEMBL 36 via Core Engine