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Compound Detail

CHEMBL1163092

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N=c1c2ccn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1N

Basic Information

ChEMBL ID CHEMBL1163092
Phase Preclinical
Structure Type MOL
InChI Key WFBIQIMFLPPBIU-RTURUPAASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
-2.36
ALogP
9
HBA
5
HBD
142.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N5O4
MW 281.27
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.79

Activity Summary

IC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
IC50 5.07 5.07 8500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 8500.0 nM 5.07 In vitro inhibitory effect on growth of L1210 cells; (10E-6) 6538600

Literature References

PubMed DOI Target Context # Activities
6538600 10.1021/jm00370a006 L1210 6

Data from ChEMBL 36 via Core Engine