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Compound Detail

CHEMBL295703

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CC1=C(N)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H](N)[C@@H]3O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL295703
Phase Preclinical
Structure Type MOL
InChI Key XNHZZRIKMUCTHU-QTTZVWFDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.3
MW (Da)
-0.93
ALogP
8
HBA
4
HBD
163.7
PSA (Ų)
0.55
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 C14H16N4O5
MW 320.31
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.06

Activity Summary

IC50 1 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
K562
CHEMBL385
 IC50 7.48 7.48 33.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
K562 IC50 = 33.0 nM 7.48 In vitro inhibitory activity against K562 leukemia cells 12699386

Literature References

PubMed DOI Target Context # Activities
12699386 10.1021/jm0209883 K562 1

Data from ChEMBL 36 via Core Engine