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Compound Detail

CHEMBL474737

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O=C(CN1CCCCC1)Nc1cc(Nc2ccnc3cc(Cl)ccc23)cc(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL474737
Phase Preclinical
Structure Type MOL
InChI Key MHYHPVQNLIGQTG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

438.9
MW (Da)
4.75
ALogP
5
HBA
3
HBD
94.6
PSA (Ų)
0.51
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 C23H23ClN4O3
MW 438.92
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.64

Literature References

PubMed DOI Target Context # Activities
18226428 10.1016/j.ejmech.2007.11.003 Plasmodium falciparum 3
18226428 10.1016/j.ejmech.2007.11.003 Unchecked 1
18226428 10.1016/j.ejmech.2007.11.003 MRC5 1

Data from ChEMBL 36 via Core Engine