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Compound Detail

CHEMBL2092969

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Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2092969
Phase Preclinical
Structure Type MOL
InChI Key OOSVZNYQTCFEON-AYQXTPAHSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

287.2
MW (Da)
-0.86
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.61
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 C10H11F2N5O3
MW 287.23
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.75

Activity Summary

IC50 4 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CCRF-CEM
CHEMBL382
 IC50 6.85 6.85 140.0 1
K562
CHEMBL385
 IC50 6.52 6.52 300.0 1
HEp-2
CHEMBL614735
 IC50 6.47 6.47 340.0 1
L1210
CHEMBL386
 IC50 6.42 6.42 380.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CCRF-CEM IC50 = 140.0 nM 6.85 Compound was tested for cytotoxicity against CCRF-CEM cell lines 1732556
K562 IC50 = 300.0 nM 6.52 Compound was tested for cytotoxicity against K562 cell lines 1732556
HEp-2 IC50 = 340.0 nM 6.47 Compound was tested for cytotoxicity against HEp-2 cell lines 1732556
L1210 IC50 = 380.0 nM 6.42 Compound was tested for cytotoxicity against L1210 cell lines 1732556

Literature References

PubMed DOI Target Context # Activities
1732556 10.1021/jm00080a029 Mus musculus 6
1732556 10.1021/jm00080a029 HEp-2 1
1732556 10.1021/jm00080a029 L1210 1
1732556 10.1021/jm00080a029 CCRF-CEM 1
1732556 10.1021/jm00080a029 K562 1

Data from ChEMBL 36 via Core Engine