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Compound Detail

CHEMBL4442126

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COC(=O)N[C@H](NC(=O)N1CCC[C@H]1c1nc2ccc(-c3cccc4cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc34)cc2[nH]1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4442126
Phase Preclinical
Structure Type MOL
InChI Key JTECZHBGIYIRBJ-ZYADHFCISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

777.9
MW (Da)
7.00
ALogP
8
HBA
5
HBD
186.7
PSA (Ų)
0.09
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H51N9O6
MW 777.93
Aromatic Rings 5
Heavy Atoms 57
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
27506559 10.1016/j.bmcl.2016.07.066 Nonstructural protein 5A 3

Data from ChEMBL 36 via Core Engine