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Compound Detail

CHEMBL5590658

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Cc1ccc(-c2nc3c(N4CCN(c5ccc(Cl)c(Cl)c5)CC4)ncnc3n2C2CCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5590658
Phase Preclinical
Structure Type MOL
InChI Key SKUAWIYWXZTLJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

507.5
MW (Da)
6.55
ALogP
6
HBA
0
HBD
50.1
PSA (Ų)
0.31
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28Cl2N6
MW 507.47
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
38688437 10.1016/j.bmcl.2024.129775 Huh-7 1
38688437 10.1016/j.bmcl.2024.129775 HCT-116 1
38688437 10.1016/j.bmcl.2024.129775 MCF7 1

Data from ChEMBL 36 via Core Engine