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Compound Detail

CHEMBL3741533

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C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC(=O)C(C)c4ccc(CC(C)C)cc4)cc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3741533
Phase Preclinical
Structure Type MOL
InChI Key ZFAIEFCFFQKTBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

567.7
MW (Da)
6.30
ALogP
8
HBA
1
HBD
91.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H37N3O5
MW 567.69
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
26487917 10.1021/acsmedchemlett.5b00286 NON-PROTEIN TARGET 1
26487917 10.1021/acsmedchemlett.5b00286 A-431 1

Data from ChEMBL 36 via Core Engine