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Compound Detail

CHEMBL211333

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CN(C)/[N+]([O-])=N\Oc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL211333
Phase Preclinical
Structure Type MOL
InChI Key MVJLIJLGZJUMSZ-GXDHUFHOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.2
MW (Da)
1.38
ALogP
7
HBA
0
HBD
137.2
PSA (Ų)
0.35
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 C8H8FN5O6
MW 289.18
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HL-60
CHEMBL383
 IC50 5.46 5.46 3500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HL-60 IC50 = 3500.0 nM 5.46 Antiproliferative activity against human HL60 cell line 16821795

Literature References

PubMed DOI Target Context # Activities
16821795 10.1021/jm060022h HL-60 1

Data from ChEMBL 36 via Core Engine