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Compound Detail

CHEMBL1790296

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CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CN)C(=O)O)C(C)C

Basic Information

ChEMBL ID CHEMBL1790296
Phase Preclinical
Structure Type BOTH
InChI Key NTOQTUPDZBKDKB-XMTZKCFKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

685.7
MW (Da)
-2.88
ALogP
10
HBA
9
HBD
303.7
PSA (Ų)
0.07
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H47N7O12
MW 685.73
Aromatic Rings 0
Heavy Atoms 48
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
9873421 10.1016/s0960-894x(98)00299-6 NS3 1

Data from ChEMBL 36 via Core Engine