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Compound Detail

CHEMBL1814738

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O=C(CCC(=O)N1Cc2ccccc2C1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814738
Phase Preclinical
Structure Type MOL
InChI Key PKTXCIVNBGTWMH-UHFFFAOYSA-N
Parent Compound CHEMBL1851946
Active Moiety CHEMBL1851946
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
4.52
ALogP
3
HBA
0
HBD
43.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H30F5N3O4
MW 603.59
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
21711053 10.1021/jm200383j Dipeptidyl peptidase 8 1
21711053 10.1021/jm200383j Unchecked 1
21711053 10.1021/jm200383j Dipeptidyl peptidase 4 1
21711053 10.1021/jm200383j Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine