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Compound Detail

CHEMBL198131

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N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCSC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL198131
Phase Preclinical
Structure Type MOL
InChI Key ZACJNKBUWNANBT-LBPRGKRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
1.57
ALogP
3
HBA
2
HBD
62.1
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 C14H17N3OS
MW 275.38
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
16236500 10.1016/j.bmcl.2005.09.037 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine