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Compound Detail

CHEMBL4799877

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CC(C)(C)Nc1cc(NC(C)(C)C)n2nccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4799877
Phase Preclinical
Structure Type MOL
InChI Key NXPGWTWBYSRVND-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

261.4
MW (Da)
3.15
ALogP
5
HBA
2
HBD
54.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H23N5
MW 261.37
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
32987315 10.1016/j.ejmech.2020.112850 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine