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Compound Detail

CHEMBL1774688

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O=C1N[C@@H](COCc2ccccc2)C(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1774688
Phase Preclinical
Structure Type MOL
InChI Key XMAJHJCAKAYJFE-QHWMMSMNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

495.5
MW (Da)
3.45
ALogP
5
HBA
2
HBD
92.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H25N3O5
MW 495.54
Aromatic Rings 4
Heavy Atoms 37
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