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Compound Detail

CHEMBL4639278

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c1ccc2c(c1)[nH]c1c([C@H]3CC[C@@H]3c3nccc4c3[nH]c3ccccc34)nccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4639278
Phase Preclinical
Structure Type MOL
InChI Key UXOQEACNXUTSDW-ROUUACIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
6.41
ALogP
2
HBA
2
HBD
57.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H20N4
MW 388.47
Aromatic Rings 6
Heavy Atoms 30
NP-Likeness 0.43

Literature References

PubMed DOI Target Context # Activities
31961680 10.1021/acs.jnatprod.9b00933 HEK293 2
31961680 10.1021/acs.jnatprod.9b00933 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine