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Compound Detail

CHEMBL2228078

8-Cl-4-Val-D-DIBOA
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CCCCOC(=O)N1C(=O)COc2c(Cl)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2228078
Name 8-Cl-4-Val-D-DIBOA
Phase Preclinical
Structure Type MOL
InChI Key LHLBSQSYBCWKLI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

283.7
MW (Da)
3.00
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14ClNO4
MW 283.71
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
20014762 10.1021/jf903445m Lactuca sativa 1
20014762 10.1021/jf903445m Allium cepa 1
20014762 10.1021/jf903445m Solanum lycopersicum 1
20014762 10.1021/jf903445m Lepidium sativum 1

Data from ChEMBL 36 via Core Engine