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Compound Detail

CHEMBL5207519

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COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCCCn3cnc4c(OCc5ccccc5)nc(N)nc43)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5207519
Phase Preclinical
Structure Type MOL
InChI Key QREXIIMFKILAKI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

610.2
MW (Da)
7.80
ALogP
9
HBA
2
HBD
113.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H36ClN7O2
MW 610.16
Aromatic Rings 6
Heavy Atoms 44
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
34731767 10.1016/j.ejmech.2021.113909 No relevant target 9
34731767 10.1016/j.ejmech.2021.113909 T98G 4
34731767 10.1016/j.ejmech.2021.113909 Calf thymus DNA 3
34731767 10.1016/j.ejmech.2021.113909 Methylated-DNA--protein-cysteine methyltransferase 3

Data from ChEMBL 36 via Core Engine