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Compound Detail

CHEMBL3800436

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N[C@@H](CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)N1Cc2cn[nH]c2C1.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3800436
Phase Preclinical
Structure Type MOL
InChI Key YHZBXYKFCOZOCG-FTBISJDPSA-N
Parent Compound CHEMBL3800725
Active Moiety CHEMBL3800725
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
2.18
ALogP
5
HBA
2
HBD
98.6
PSA (Ų)
0.55
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 C28H29F5N6O4
MW 608.57
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.24

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