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Compound Detail

CHEMBL4635612

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CCCCCC(=O)N[C@H](C(=O)NCc1ccncc1)c1ccc(OCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4635612
Phase Preclinical
Structure Type MOL
InChI Key UTRHIEYEUXYGKA-SANMLTNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

445.6
MW (Da)
4.71
ALogP
4
HBA
2
HBD
80.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31N3O3
MW 445.56
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.92

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