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Compound Detail

CHEMBL1774619

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NN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1774619
Phase Preclinical
Structure Type MOL
InChI Key VUKJGAVIWMPOOJ-FOIQADDNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
1.46
ALogP
5
HBA
2
HBD
100.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N4O4
MW 390.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.14

Literature References

PubMed DOI Target Context # Activities
21504142 10.1021/jm1014617 Plasmodium falciparum 1
21504142 10.1021/jm1014617 MRC5 1

Data from ChEMBL 36 via Core Engine