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Compound Detail

CHEMBL5202969

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Cc1cccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2cccc(C)c2C)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202969
Phase Preclinical
Structure Type MOL
InChI Key JSHZUSLOOOKHPC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
6.26
ALogP
6
HBA
2
HBD
93.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N5O2
MW 413.48
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.23

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