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Compound Detail

CHEMBL553172

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CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL553172
Phase Preclinical
Structure Type MOL
InChI Key SPQZOUWJRCAIEO-UTYWTXRGSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

615.6
MW (Da)
1.85
ALogP
7
HBA
5
HBD
185.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H40F3N5O7
MW 615.65
Aromatic Rings 1
Heavy Atoms 43
NP-Likeness -0.27

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
19362479 10.1016/j.bmcl.2009.03.118 Replicase polyprotein 1ab 1
34313428 10.1021/acs.jmedchem.1c00665 Unchecked 1

Data from ChEMBL 36 via Core Engine