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Compound Detail

CHEMBL2440331

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CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(/C=C2\SC(=S)NC2=O)c1)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2440331
Phase Preclinical
Structure Type MOL
InChI Key ZVIAKTONZWYSON-MBVSDOOSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

661.9
MW (Da)
0.31
ALogP
9
HBA
9
HBD
247.4
PSA (Ų)
0.03
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H43N9O5S2
MW 661.86
Aromatic Rings 1
Heavy Atoms 45
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
24083834 10.1021/jm400828u Unchecked 2
24083834 10.1021/jm400828u dengue virus type 2 1
24083834 10.1021/jm400828u Prothrombin 1

Data from ChEMBL 36 via Core Engine