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Compound Detail

CHEMBL2325796

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O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2325796
Phase Preclinical
Structure Type MOL
InChI Key ZFCXLDTYVLJAME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

409.9
MW (Da)
5.78
ALogP
5
HBA
1
HBD
85.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12ClN3O3S
MW 409.85
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -2.33

Literature References

PubMed DOI Target Context # Activities
23484493 10.1021/jm301687p ADMET 1
23484493 10.1021/jm301687p No relevant target 1
23484493 10.1021/jm301687p Trypanosoma brucei brucei 1
23484493 10.1021/jm301687p BJ 1
23484493 10.1021/jm301687p Raji 1
23484493 10.1021/jm301687p HepG2 1
23484493 10.1021/jm301687p HEK293 1

Data from ChEMBL 36 via Core Engine