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Compound Detail

CHEMBL4440121

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CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccccc2C(=O)N2CCC[C@H]2C(=O)OC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4440121
Phase Preclinical
Structure Type MOL
InChI Key ONJYUBWLPWBZAS-IRLDBZIGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

507.6
MW (Da)
0.79
ALogP
9
HBA
1
HBD
119.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33N5O5
MW 507.59
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
30642693 10.1016/j.bmc.2019.01.001 Dipeptidyl peptidase 4 3

Data from ChEMBL 36 via Core Engine