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Compound Detail

CHEMBL3747693

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CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3747693
Phase Preclinical
Structure Type BOTH
InChI Key CELGTMXBGQBLGE-KKUMJFAQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
-1.01
ALogP
6
HBA
6
HBD
193.7
PSA (Ų)
0.18
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H35N5O6
MW 429.52
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 0.29

Literature References

PubMed DOI Target Context # Activities
26711145 10.1016/j.bmcl.2015.12.023 Serine protease hepsin 1
26711145 10.1016/j.bmcl.2015.12.023 Suppressor of tumorigenicity 14 protein homolog 1

Data from ChEMBL 36 via Core Engine