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Compound Detail

CHEMBL1198334

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COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198334
Phase Preclinical
Structure Type MOL
InChI Key DFOCUWZXJBAUSQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

608.7
MW (Da)
6.86
ALogP
8
HBA
1
HBD
72.9
PSA (Ų)
0.27
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C37H40N2O6
MW 608.74
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness 1.89

Literature References

PubMed DOI Target Context # Activities
31284086 10.1016/j.ejmech.2019.06.062 Cruzipain 2
31284086 10.1016/j.ejmech.2019.06.062 Rhodesain 2

Data from ChEMBL 36 via Core Engine