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Compound Detail

CHEMBL2311124

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N=C(N)c1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)Nc2ccc(C(=N)N)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2311124
Phase Preclinical
Structure Type MOL
InChI Key OKHDHMIZVLFMSU-HUUCEWRRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
1.47
ALogP
4
HBA
6
HBD
157.9
PSA (Ų)
0.34
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 C19H20N6O2
MW 364.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
12620080 10.1021/jm020375q Trypanosoma brucei 3
12620080 10.1021/jm020375q Mus musculus 1
12620080 10.1021/jm020375q Calf thymus DNA 1
12620080 10.1021/jm020375q Nucleic Acid 1

Data from ChEMBL 36 via Core Engine