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Compound Detail

CHEMBL5291089

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Cn1c(NC2CCN(CCc3ccc(-c4nc(C(=O)O)no4)cc3)CC2)nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5291089
Phase Preclinical
Structure Type MOL
InChI Key MPAQRIMBDHBVDW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
3.44
ALogP
8
HBA
2
HBD
109.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N6O3
MW 446.51
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.28

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
36507890 10.1021/acs.jmedchem.2c01516 Voltage-gated inwardly rectifying potassium channel KCNH2 1
36507890 10.1021/acs.jmedchem.2c01516 Unchecked 1

Data from ChEMBL 36 via Core Engine