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Compound Detail

CHEMBL1165337

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CCC(=O)CCCCC[C@@H]1NC(=O)CNC(=O)C[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)N(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1165337
Phase Preclinical
Structure Type MOL
InChI Key RDSLDZYSJYJUKJ-MPPVSAIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

567.7
MW (Da)
3.00
ALogP
5
HBA
4
HBD
140.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H45N5O5
MW 567.73
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness 0.94

Literature References

PubMed DOI Target Context # Activities
20223566 10.1016/j.ejmech.2010.02.030 Histone deacetylase 1

Data from ChEMBL 36 via Core Engine