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Compound Detail

CHEMBL6041191

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CCCCOc1nc(N)c2nc(O)n(Cc3ccc(Oc4ccc(CNCCOC)cc4)cc3)c2n1

Basic Information

ChEMBL ID CHEMBL6041191
Phase Preclinical
Structure Type MOL
InChI Key ORCANGUVKGRRQG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
3.87
ALogP
10
HBA
3
HBD
129.6
PSA (Ų)
0.24
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N6O4
MW 492.58
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.82

Activity Summary

EC50 2 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toll-like receptor 7
CHEMBL5936
EC50 8.89 8.89 1.3 1
Interleukin-6
CHEMBL1795129
EC50 8.18 8.18 6.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine