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Compound Detail

CHEMBL26949

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Nc1nc(O)c2nnn([C@H]3CCC[C@H]3CO)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL26949
Phase Preclinical
Structure Type MOL
InChI Key POVUVXDCBKJXQK-WDSKDSINSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
-0.16
ALogP
8
HBA
3
HBD
123.0
PSA (Ų)
0.68
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 C10H14N6O2
MW 250.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.48

Activity Summary

IC50 3 meas. best 4.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 4.1 4.1 80000.0 1
MOLT-4
CHEMBL614177
 IC50 4.07 4.07 86000.0 1
CCRF-CEM
CHEMBL382
 IC50 4.06 4.06 86700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 80000.0 nM 4.1 Antitumor activity was evaluated against L1210 cell line 9871764
MOLT-4 IC50 = 86000.0 nM 4.07 Antitumor activity was evaluated against Molt4/C8 cell line 9871764
CCRF-CEM IC50 = 86700.0 nM 4.06 Antitumor activity was evaluated against CEM cell line 9871764

Literature References

PubMed DOI Target Context # Activities
9871764 10.1016/s0960-894x(98)00216-9 L1210 1
9871764 10.1016/s0960-894x(98)00216-9 MOLT-4 1
9871764 10.1016/s0960-894x(98)00216-9 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine