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Compound Detail

CHEMBL5186185

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O=C(Nc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5186185
Phase Preclinical
Structure Type MOL
InChI Key XPORXYGLIWJMAN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

575.3
MW (Da)
9.25
ALogP
5
HBA
3
HBD
78.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23Cl4N5O
MW 575.33
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
34536671 10.1016/j.ejmech.2021.113823 Schistosoma mansoni 3
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