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Compound Detail

CHEMBL1164592

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CC[C@H](C)[C@H]1CC(=O)NCC(=O)N[C@@H](CCCCCC(=O)NO)C(=O)N[C@@H](Cc2cc3ccccc3[nH]2)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1164592
Phase Preclinical
Structure Type MOL
InChI Key BHNXPOVVFQRABM-QMZRJTEUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

556.7
MW (Da)
1.19
ALogP
6
HBA
7
HBD
181.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H40N6O6
MW 556.66
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness 0.73

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