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Compound Detail

CHEMBL4102073

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COc1ccc(CNCCCN2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(CCCNCCCCNCCCN)C4=O)c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4102073
Phase Preclinical
Structure Type MOL
InChI Key KIKWEYHUAQBQKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

688.8
MW (Da)
2.94
ALogP
11
HBA
4
HBD
164.6
PSA (Ų)
0.10
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H48N6O7
MW 688.83
Aromatic Rings 3
Heavy Atoms 50
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
28157593 10.1016/j.ejmech.2017.01.025 Unchecked 3
28157593 10.1016/j.ejmech.2017.01.025 DNA topoisomerase 2-alpha 1

Data from ChEMBL 36 via Core Engine