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Compound Detail

CHEMBL4877299

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N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3C[C@H]4CCC[C@@H]4N3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4877299
Phase Preclinical
Structure Type MOL
InChI Key IXUTYJAXGFAXCL-LDVJMBRRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
3.31
ALogP
4
HBA
2
HBD
88.7
PSA (Ų)
0.83
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 C24H24N4O
MW 384.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.07

Literature References

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

Data from ChEMBL 36 via Core Engine