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Compound Detail

CHEMBL213573

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CO/N=C(/N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)nc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL213573
Phase Preclinical
Structure Type MOL
InChI Key JEXOVZLUEKJTBU-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
3.16
ALogP
5
HBA
3
HBD
105.6
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 C21H21N5O2
MW 375.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.78

Activity Summary

IC50 2 meas.

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.9167 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