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Compound Detail

CHEMBL6049828

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Cc1cc(=O)c2c(OCC(O)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6049828
Phase Preclinical
Structure Type MOL
InChI Key XSTIKDBUFTWNNB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.7
MW (Da)
3.39
ALogP
6
HBA
2
HBD
84.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15Cl3N2O4
MW 429.69
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.62

Activity Summary

IC50 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Kir3.1/Kir3.4
CHEMBL3038488
 IC50 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Kir3.1/Kir3.4 IC50 = 8.0 nM 8.1 IonWorks Quattro system: Quattro is controlled using IonWorks v2 software to per... -

Data from ChEMBL 36 via Core Engine