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Compound Detail

CHEMBL101105

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O=C(CCCCCNC(=O)[C@H](Cc1ccccc1)N1CCCC1=O)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL101105
Phase Preclinical
Structure Type MOL
InChI Key OGGQZNLSPBIWQO-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
1.40
ALogP
4
HBA
3
HBD
98.7
PSA (Ų)
0.33
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 C19H27N3O4
MW 361.44
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
12270175 10.1016/s0960-894x(02)00622-4 Histone deacetylase 1

Data from ChEMBL 36 via Core Engine