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Compound Detail

CHEMBL4168877

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CCCCN(Cc1ccc(NC(=O)[C@H](C)N)cc1)C(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4168877
Phase Preclinical
Structure Type MOL
InChI Key WRPBUQYMPVLFEN-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
3.81
ALogP
3
HBA
3
HBD
87.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N4O2
MW 368.48
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
29057046 10.1021/acsmedchemlett.7b00223 Histone deacetylase 1 1
29057046 10.1021/acsmedchemlett.7b00223 Histone deacetylase 6 1

Data from ChEMBL 36 via Core Engine