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Compound Detail

CHEMBL446163

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COc1cc(O)c(/C=N/NC(=O)NO)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL446163
Phase Preclinical
Structure Type MOL
InChI Key PFUSMHHOQWRWAP-VZUCSPMQSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

255.2
MW (Da)
0.43
ALogP
6
HBA
4
HBD
112.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13N3O5
MW 255.23
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.29

Activity Summary

IC50 2 meas. best 4.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 4.04 4.04 91400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 91400.0 nM 4.04 Activity against lymphocytic murine leukemia cell line L1210 using MTS/PES micro... 11784145

Literature References

PubMed DOI Target Context # Activities
11784145 10.1021/jm010252q No relevant target 2
11784145 10.1021/jm010252q L1210 1
14521406 10.1021/jm030016a L1210 1

Data from ChEMBL 36 via Core Engine