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Compound Detail

CHEMBL303827

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CC(C)C(OC(=O)N1CCN(C(=O)N2C(=O)[C@H](CCCN)[C@H]2C(=O)O)CC1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL303827
Phase Preclinical
Structure Type MOL
InChI Key XKMBNCINLNALBA-CABCVRRESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
1.19
ALogP
6
HBA
2
HBD
133.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H34N4O6
MW 426.51
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 0.34

Literature References

PubMed DOI Target Context # Activities
15081014 10.1016/j.bmcl.2004.02.011 Tryptase 1

Data from ChEMBL 36 via Core Engine