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Compound Detail

CHEMBL5195068

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Clc1ccc(Nc2nc3ccc(N4CCCC4)cc3nc2Nc2ccc(Cl)c(Cl)c2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5195068
Phase Preclinical
Structure Type MOL
InChI Key CUBYQISYMXZAQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

519.3
MW (Da)
8.33
ALogP
5
HBA
2
HBD
53.1
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19Cl4N5
MW 519.26
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
34536671 10.1016/j.ejmech.2021.113823 Schistosoma mansoni 5
34536671 10.1016/j.ejmech.2021.113823 HepG2 2
34536671 10.1016/j.ejmech.2021.113823 ADMET 2

Data from ChEMBL 36 via Core Engine