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Compound Detail

CHEMBL10391

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CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)cccc3nc2-1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL10391
Phase Preclinical
Structure Type MOL
InChI Key VJGJMRFCIYBLSC-QHCPKHFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
2.14
ALogP
7
HBA
1
HBD
84.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N3O4
MW 405.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.61

Activity Summary

IC50 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 7.19 7.19 65.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 65.0 nM 7.19 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