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Compound Detail

CHEMBL138160

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CCCc1c[nH]c([C@@H]2Cc3ccccc3N2C(=O)c2c[nH]cn2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL138160
Phase Preclinical
Structure Type MOL
InChI Key LFSCHQULSHVTMZ-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
3.03
ALogP
3
HBA
2
HBD
77.7
PSA (Ų)
0.78
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 C18H19N5O
MW 321.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
14643348 10.1016/j.bmcl.2003.09.014 Tripeptidyl-peptidase 2 1

Data from ChEMBL 36 via Core Engine