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Compound Detail

CHEMBL4851188

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N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3CN4CCC[C@@H]4CN3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4851188
Phase Preclinical
Structure Type MOL
InChI Key BQWJEMPWVHELPK-YTFSRNRJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
2.21
ALogP
5
HBA
2
HBD
92.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N5O
MW 399.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
34139325 10.1016/j.bmcl.2021.128202 Dipeptidyl peptidase 1 4

Data from ChEMBL 36 via Core Engine