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Compound Detail

CHEMBL5202154

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COc1ccc(N(C)c2cc(C#N)nc3ccccc23)cc1I
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202154
Phase Preclinical
Structure Type MOL
InChI Key MIBHKQWBOINKPH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

415.2
MW (Da)
4.49
ALogP
4
HBA
0
HBD
49.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14IN3O
MW 415.23
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
35797900 10.1016/j.ejmech.2022.114573 HCT-116 1
35797900 10.1016/j.ejmech.2022.114573 Histone deacetylase 6 1
35797900 10.1016/j.ejmech.2022.114573 Histone deacetylase 8 1
35797900 10.1016/j.ejmech.2022.114573 Histone deacetylase 11 1

Data from ChEMBL 36 via Core Engine