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Compound Detail

CHEMBL212805

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CO/N=C(\N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)cc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212805
Phase Preclinical
Structure Type MOL
InChI Key RXOKQZOKRXVBIT-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
3.36
ALogP
5
HBA
3
HBD
105.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O3
MW 364.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.46

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
16913722 10.1021/jm060470p Mus musculus 2
16913722 10.1021/jm060470p L6 1
16913722 10.1021/jm060470p Plasmodium falciparum 1
16913722 10.1021/jm060470p Trypanosoma brucei rhodesiense 1

Data from ChEMBL 36 via Core Engine