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Compound Detail

CHEMBL1213187

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C[C@H](NC[C@H](O)CP(=O)(O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1213187
Phase Preclinical
Structure Type MOL
InChI Key JGGVBBYJRQOPPA-BBRMVZONSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

408.3
MW (Da)
4.86
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H28Cl2NO3P
MW 408.31
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
18327252 10.1038/nchembio.78 Drosophila 1

Data from ChEMBL 36 via Core Engine