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Compound Detail

CHEMBL2068713

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O=C(CCCCCC[N-]CC[S-])Nc1ccccc1.[Zn+2]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2068713
Phase Preclinical
Structure Type MOL
InChI Key HFSFMSAUTCNTQT-UHFFFAOYSA-M
Parent Compound CHEMBL1180080
Active Moiety CHEMBL1180080
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
3.10
ALogP
3
HBA
3
HBD
41.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22N2OSZn
MW 343.81
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
15808449 10.1016/j.bmcl.2005.02.075 Histone deacetylase 1

Data from ChEMBL 36 via Core Engine