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Compound Detail

CHEMBL3746062

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CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3746062
Phase Preclinical
Structure Type MOL
InChI Key BTNDVCPNWVRRHA-IRXDYDNUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
1.17
ALogP
4
HBA
5
HBD
137.2
PSA (Ų)
0.17
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H31N5O3
MW 389.50
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.10

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