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Compound Detail

CHEMBL5271575

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Cc1noc(-c2ccc(CCN3CCC(Nc4nc5cc(C(=O)O)ccc5n4C)CC3)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5271575
Phase Preclinical
Structure Type MOL
InChI Key NXIQOYNGYHAWKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
3.75
ALogP
8
HBA
2
HBD
109.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N6O3
MW 460.54
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
36507890 10.1021/acs.jmedchem.2c01516 Plasmodium falciparum 1
36507890 10.1021/acs.jmedchem.2c01516 No relevant target 1

Data from ChEMBL 36 via Core Engine