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Compound Detail

CHEMBL212556

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CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212556
Phase Preclinical
Structure Type MOL
InChI Key QZNNUWUFFBUTIG-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
3.97
ALogP
4
HBA
4
HBD
90.2
PSA (Ų)
0.30
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 C22H22N4O2
MW 374.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.18

Activity Summary

IC50 3 meas.

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.5 hr Mus musculus

Literature References

PubMed DOI Target Context # Activities
16913722 10.1021/jm060470p Mus musculus 3
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