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Compound Detail

CHEMBL436012

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CCCc1c[nH]c([C@@H]2Cc3ccccc3N2C(=O)c2ccccc2[N+](=O)[O-])n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL436012
Phase Preclinical
Structure Type MOL
InChI Key OBVQLQNNURKQES-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
4.21
ALogP
4
HBA
1
HBD
92.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N4O3
MW 376.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.13

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