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Compound Detail

CHEMBL535671

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N=C(N)Nc1ccc(NC(=O)c2ccc(NC(=N)N)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL535671
Phase Preclinical
Structure Type MOL
InChI Key ZIFJWHGDSKFSHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
1.55
ALogP
3
HBA
7
HBD
152.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N7O
MW 311.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
31103899 10.1016/j.ejmech.2019.05.025 Genome polyprotein 4
24865793 10.1016/j.ejmech.2014.04.083 Trypanosoma brucei rhodesiense 2
31103899 10.1016/j.ejmech.2019.05.025 No relevant target 2
24865793 10.1016/j.ejmech.2014.04.083 Trypanosoma brucei 1
- 10.1039/C5MD00292C Unchecked 1
31103899 10.1016/j.ejmech.2019.05.025 Prothrombin 1
31103899 10.1016/j.ejmech.2019.05.025 Trypsin 1

Data from ChEMBL 36 via Core Engine