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Compound Detail

CHEMBL386557

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C=CC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)C(=O)NCCc1c(-c2ccccc2)[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL386557
Phase Preclinical
Structure Type MOL
InChI Key VIICUBHXKZRBIU-PMERELPUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

534.7
MW (Da)
5.60
ALogP
3
HBA
4
HBD
99.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H34N4O3
MW 534.66
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
16987657 10.1016/j.bmcl.2006.09.002 Histone deacetylase 1 1
16987657 10.1016/j.bmcl.2006.09.002 HeLa 1

Data from ChEMBL 36 via Core Engine