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Compound Detail

CHEMBL1159709

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CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(P(=O)(O)O)ccc3nc2-1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1159709
Phase Preclinical
Structure Type MOL
InChI Key VIVQXNOLEJJICU-FQEVSTJZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

428.3
MW (Da)
0.88
ALogP
7
HBA
3
HBD
138.9
PSA (Ų)
0.32
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 C20H17N2O7P
MW 428.34
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.97

Activity Summary

IC50 1 meas. best 4.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 4.58 4.58 26000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 26000.0 nM 4.58 Inhibitory activity in mice bearing L1210 leukemia 1846923

Literature References

PubMed DOI Target Context # Activities
1846923 10.1021/jm00105a017 Mus musculus 2
1846923 10.1021/jm00105a017 DNA topoisomerase 1 1
1846923 10.1021/jm00105a017 L1210 1

Data from ChEMBL 36 via Core Engine