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Compound Detail

CHEMBL3797536

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CC[C@@H](C)[C@H](N)C(=O)N1Cc2nc(C)sc2C1.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3797536
Phase Preclinical
Structure Type MOL
InChI Key WSVPCIIDYJDWDW-YERNIVPCSA-N
Parent Compound CHEMBL3800730
Active Moiety CHEMBL3800730
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

253.4
MW (Da)
1.67
ALogP
4
HBA
1
HBD
59.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20F3N3O3S
MW 367.39
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00454C Dipeptidyl peptidase 8 1
- 10.1039/C5MD00454C Unchecked 1
- 10.1039/C5MD00454C Dipeptidyl peptidase 4 1
- 10.1039/C5MD00454C Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine