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Compound Detail

CHEMBL4743613

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Cc1cc(Nc2cc(C(=O)NCCN3CCCC3)c3cc(F)ccc3n2)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4743613
Phase Preclinical
Structure Type MOL
InChI Key WZTGZHDCHCWXKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
3.24
ALogP
6
HBA
2
HBD
83.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22FN5O2
MW 383.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.18

Literature References

PubMed DOI Target Context # Activities
27631715 10.1021/acs.jmedchem.6b00723 Plasmodium falciparum 1
27631715 10.1021/acs.jmedchem.6b00723 MRC5 1

Data from ChEMBL 36 via Core Engine