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Compound Detail

CHEMBL3747752

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CC(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3747752
Phase Preclinical
Structure Type MOL
InChI Key MKIFOMQJVLQJPK-QMMMGPOBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
0.09
ALogP
5
HBA
4
HBD
121.0
PSA (Ų)
0.24
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 C11H17N5O2S
MW 283.36
Aromatic Rings 1
Heavy Atoms 19
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