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Compound Detail

CHEMBL1807635

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COC(=O)c1nnn([C@@H]2C(=O)N(C3CCCCC3)[C@@H]2/C=C/c2ccccc2)c1C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1807635
Phase Preclinical
Structure Type MOL
InChI Key WTGOUVPSORICAT-WXVNRZFOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
2.65
ALogP
8
HBA
0
HBD
103.6
PSA (Ų)
0.50
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 C23H26N4O5
MW 438.48
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
21705220 10.1016/j.bmcl.2011.05.119 Plasmodium falciparum 3
21705220 10.1016/j.bmcl.2011.05.119 KB 3

Data from ChEMBL 36 via Core Engine