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Compound Detail

CHEMBL4214840

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Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C(C)(C)c1c(C)[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4214840
Phase Preclinical
Structure Type MOL
InChI Key DNKGWJBDHYGXCB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
4.74
ALogP
5
HBA
2
HBD
89.0
PSA (Ų)
0.42
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 C26H28N4O3
MW 444.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
30212625 10.1021/acs.jmedchem.8b01106 Kallikrein-6 1
30212625 10.1021/acs.jmedchem.8b01106 Trypsin 1

Data from ChEMBL 36 via Core Engine