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Compound Detail

CHEMBL5197108

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N#Cc1ccc(Cl)c(-c2cccc3cc(C(=O)N[C@H]4CC[C@@H](O)C4)oc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5197108
Phase Preclinical
Structure Type MOL
InChI Key ULGBDVGBFRPXRT-LSDHHAIUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.8
MW (Da)
4.27
ALogP
4
HBA
2
HBD
86.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17ClN2O3
MW 380.83
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.76

Activity Summary

EC50 1 meas. best 10.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ceramide glucosyltransferase
CHEMBL2063
 EC50 10.33 10.33 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ceramide glucosyltransferase EC50 = 0.047 nM 10.33 Inhibition of GCS in human A-375 cells using C6-ceramide and UDP-glucose as subs... 35707161

Literature References

PubMed DOI Target Context # Activities
35707161 10.1021/acsmedchemlett.2c00182 Ceramide glucosyltransferase 1

Data from ChEMBL 36 via Core Engine