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Compound Detail

CHEMBL5209102

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Cc1ccc(Nc2nc3ccccc3nc2Nc2ccc(C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5209102
Phase Preclinical
Structure Type MOL
InChI Key SIGMEZFMXGGIAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
5.73
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N4
MW 340.43
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
34536671 10.1016/j.ejmech.2021.113823 Schistosoma mansoni 1

Data from ChEMBL 36 via Core Engine