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Compound Detail

CHEMBL601093

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O=C(NCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL601093
Phase Preclinical
Structure Type MOL
InChI Key XHNKHLNFCWPFLM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

290.7
MW (Da)
3.18
ALogP
3
HBA
1
HBD
72.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11ClN2O3
MW 290.71
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.06

Literature References

PubMed DOI Target Context # Activities
19963377 10.1016/j.bmcl.2009.11.022 Trypanosoma brucei brucei 1
19963377 10.1016/j.bmcl.2009.11.022 Plasmodium falciparum 1
19963377 10.1016/j.bmcl.2009.11.022 HepG2 1
19963377 10.1016/j.bmcl.2009.11.022 No relevant target 1
33854703 10.1021/acsmedchemlett.1c00029 Nuclear receptor ROR-gamma 1
33854703 10.1021/acsmedchemlett.1c00029 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine