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Compound Detail

CHEMBL1814121

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N=C(Nc1ccc(-c2ccc(-c3ccc(NC(=N)c4cnccn4)cc3)o2)cc1)c1cnccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814121
Phase Preclinical
Structure Type MOL
InChI Key JXLMULDZGLQOFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
5.07
ALogP
7
HBA
4
HBD
136.5
PSA (Ų)
0.21
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 C26H20N8O
MW 460.50
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
21741248 10.1016/j.bmc.2011.06.026 Leishmania donovani 1
21741248 10.1016/j.bmc.2011.06.026 Leishmania amazonensis 1

Data from ChEMBL 36 via Core Engine