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Compound Detail

CHEMBL5429543

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FC(F)c1nnc(-c2ccc(Cn3nnc(-c4ccccn4)n3)cn2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5429543
Phase Preclinical
Structure Type MOL
InChI Key LLZKMLBXVXOQIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

356.3
MW (Da)
2.17
ALogP
9
HBA
0
HBD
108.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10F2N8O
MW 356.30
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.23

Pharmacokinetic Data

Parameter Value Units Species
CL 3.0 mL.min-1.g-1 Homo sapiens

Literature References

PubMed DOI Target Context # Activities
37797307 10.1021/acs.jmedchem.3c01269 Histone deacetylase 6 3
37797307 10.1021/acs.jmedchem.3c01269 No relevant target 1
37797307 10.1021/acs.jmedchem.3c01269 THP-1 1
37797307 10.1021/acs.jmedchem.3c01269 ADMET 1

Data from ChEMBL 36 via Core Engine