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Compound Detail

CHEMBL2325797

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O=C(CNc1ccc(-c2nc3ccccc3s2)cc1)c1cc([N+](=O)[O-])ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2325797
Phase Preclinical
Structure Type MOL
InChI Key FCCHYXVOGLIKKO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

423.9
MW (Da)
5.82
ALogP
6
HBA
1
HBD
85.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14ClN3O3S
MW 423.88
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -2.22

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 BJ 1
23484493 10.1021/jm301687p Raji 1
23484493 10.1021/jm301687p HepG2 1
23484493 10.1021/jm301687p HEK293 1
23484493 10.1021/jm301687p Trypanosoma brucei brucei 1

Data from ChEMBL 36 via Core Engine