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Compound Detail

CHEMBL5613800

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C#CCN1CCN(CCCOc2ccc3c(ccn3S(=O)(=O)c3ccc(C(=O)NN)cc3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5613800
Phase Preclinical
Structure Type MOL
InChI Key XYYROHFZJGYLHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
1.50
ALogP
8
HBA
2
HBD
109.9
PSA (Ų)
0.15
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N5O4S
MW 495.61
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
39256214 10.1021/acs.jmedchem.4c01367 Histone deacetylase 1 2
39256214 10.1021/acs.jmedchem.4c01367 Histone deacetylase 6 2

Data from ChEMBL 36 via Core Engine