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Compound Detail

CHEMBL3616910

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CC#CCn1c(N2CCNC(=O)C2)nc2c1c(=O)n(Cc1ccccn1)c(=O)n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3616910
Phase Preclinical
Structure Type MOL
InChI Key CLMMUIFTZCNAEV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
-0.70
ALogP
9
HBA
1
HBD
107.0
PSA (Ų)
0.57
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 C20H21N7O3
MW 407.43
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.65

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C4MD00167B Prolyl endopeptidase FAP 1
- 10.1039/C4MD00167B Dipeptidyl peptidase 4 1
- 10.1039/C4MD00167B Prolyl endopeptidase 1
- 10.1039/C4MD00167B Dipeptidyl peptidase 9 1
- 10.1039/C4MD00167B Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine