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Compound Detail

CHEMBL4632939

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N=C(N)Nc1ccc(CNC(=O)[C@@H](NC(=O)c2ccccc2)c2ccc(OCc3ccccc3)cc2)cc1.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4632939
Phase Preclinical
Structure Type MOL
InChI Key IPRDFQCVXCPKDG-YCBFMBTMSA-N
Parent Compound CHEMBL4651191
Active Moiety CHEMBL4651191
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

507.6
MW (Da)
4.36
ALogP
4
HBA
5
HBD
129.3
PSA (Ų)
0.16
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H30F3N5O5
MW 621.62
Aromatic Rings 4
Heavy Atoms 38
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