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Compound Detail

CHEMBL3262270

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CC(C)=CCCC1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc4occc4c3)c2O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262270
Phase Preclinical
Structure Type MOL
InChI Key KVFZMPJQLWNQRY-RMKNXTFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
6.95
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26O4
MW 414.50
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 2.24

Literature References

PubMed DOI Target Context # Activities
36970150 10.1039/d2md00341d Syrian golden hamster 5
24635539 10.1021/jm401893j Leishmania donovani 2
36970150 10.1039/d2md00341d No relevant target 2
36970150 10.1039/d2md00341d Rattus norvegicus 2
36970150 10.1039/d2md00341d L6 2
24635539 10.1021/jm401893j Vero 1

Data from ChEMBL 36 via Core Engine