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Compound Detail

CHEMBL233496

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Cn1cnc(C(=O)N(CC(=O)OC(C)(C)C)C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL233496
Phase Preclinical
Structure Type MOL
InChI Key AMJSRHMOGWRDHI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
2.44
ALogP
9
HBA
0
HBD
109.3
PSA (Ų)
0.49
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 C26H31N7O3
MW 489.58
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
17722901 10.1021/jm0703340 Plasmodium falciparum 2
17722901 10.1021/jm0703340 Unchecked 1

Data from ChEMBL 36 via Core Engine