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Compound Detail

CHEMBL4553169

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CC(C)(C)c1ccc(NC(=O)Nc2cccc3[nH]ccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4553169
Phase Preclinical
Structure Type MOL
InChI Key KBIFSWYKTMXKFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
5.11
ALogP
1
HBA
3
HBD
56.9
PSA (Ų)
0.61
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N3O
MW 307.40
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
32142284 10.1021/acs.jmedchem.9b01979 Deoxyhypusine synthase 1

Data from ChEMBL 36 via Core Engine