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Compound Detail

CHEMBL5791601

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N[C@H]1C[C@@H](N2Cc3ccc(Br)cc3C2)CO[C@@H]1c1cc(F)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5791601
Phase Preclinical
Structure Type MOL
InChI Key PAGDHYSHBYMFIZ-AYOQOUSVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.3
MW (Da)
3.90
ALogP
3
HBA
1
HBD
38.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19BrF2N2O
MW 409.27
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.56

Activity Summary

IC50 1 meas. best 8.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 IC50 8.19 8.19 6.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 6.5 nM 8.19 DPP-IV Inhibitory Activity: 1. DPP-IV enzyme reaction buffer was prepared (50 mM... -

Data from ChEMBL 36 via Core Engine