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Compound Detail

CHEMBL259509

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OC[C@H]1O[C@@H](n2cnc3c(COc4ccccn4)ncnc32)[C@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL259509
Phase Preclinical
Structure Type MOL
InChI Key WQMQXUIZLNYDDB-DSPGLSBSSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

359.3
MW (Da)
-0.59
ALogP
10
HBA
3
HBD
135.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N5O5
MW 359.34
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.17

Activity Summary

IC50 4 meas. best 4.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CCRF-CEM
CHEMBL382
IC50 4.97 4.875 10800.0 2
HL-60
CHEMBL383
IC50 4.92 4.88 12000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

Data from ChEMBL 36 via Core Engine