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Compound Detail

CHEMBL4647630

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CCCCCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)c1ccc(OCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4647630
Phase Preclinical
Structure Type MOL
InChI Key DXLVFBACFMQSBK-ZCYQVOJMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
3.10
ALogP
5
HBA
4
HBD
136.5
PSA (Ų)
0.27
QED
0
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H38N4O4
MW 482.63
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
32605372 10.1021/acs.jmedchem.0c00413 Genome polyprotein 6
32605372 10.1021/acs.jmedchem.0c00413 HeLa 1
32605372 10.1021/acs.jmedchem.0c00413 Trypsin 1
32605372 10.1021/acs.jmedchem.0c00413 Prothrombin 1

Data from ChEMBL 36 via Core Engine