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Compound Detail

CHEMBL1774682

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CC(C)(C)OC(=O)N1CCN(c2ccc(N3CC(=O)N4[C@H](c5ccc6c(c5)OCO6)c5[nH]c6ccccc6c5C[C@@H]4C3=O)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1774682
Phase Preclinical
Structure Type MOL
InChI Key RCTXMFIXCZDBNE-LHXZUMEBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

635.7
MW (Da)
4.84
ALogP
7
HBA
1
HBD
107.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H37N5O6
MW 635.72
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness -0.68

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