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Compound Detail

CHEMBL2312887

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Cl.NCCCn1c2c(c3ccc(NC(=O)C(=O)O)cc3c1=O)C(=O)c1ccccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2312887
Phase Preclinical
Structure Type MOL
InChI Key VWPKZSZEPNJHFF-UHFFFAOYSA-N
Parent Compound CHEMBL2324933
Active Moiety CHEMBL2324933
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
1.58
ALogP
6
HBA
3
HBD
131.5
PSA (Ų)
0.45
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 C21H18ClN3O5
MW 427.84
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
23259865 10.1021/jm3014458 DNA topoisomerase 1 1
23259865 10.1021/jm3014458 Tyrosyl-DNA phosphodiesterase 1 1

Data from ChEMBL 36 via Core Engine