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Compound Detail

CHEMBL4861451

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CCc1cccc(CNC(=O)c2nc3ccc(OC)c(COCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4861451
Phase Preclinical
Structure Type MOL
InChI Key TZZKUBRHHUPTTK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

501.5
MW (Da)
3.84
ALogP
6
HBA
3
HBD
130.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27N3O6
MW 501.54
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
34437804 10.1021/acs.jmedchem.1c00441 HEK293 1
34437804 10.1021/acs.jmedchem.1c00441 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine