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Compound Detail

CHEMBL1819092

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CC[C@]1(N)CCCN(c2cc3c(c(=O)n(C)c(=O)n3C)n2Cc2cc(F)ccc2C#N)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1819092
Phase Preclinical
Structure Type MOL
InChI Key PNCYZOJJIHDBQW-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
1.81
ALogP
8
HBA
1
HBD
102.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27FN6O2
MW 438.51
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
21865048 10.1016/j.bmc.2011.07.042 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine