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Compound Detail

CHEMBL4093770

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CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4093770
Phase Preclinical
Structure Type MOL
InChI Key QVXUVHIZQNYJCY-DMDPWHOSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

619.7
MW (Da)
-1.71
ALogP
8
HBA
8
HBD
251.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H45N7O8
MW 619.72
Aromatic Rings 1
Heavy Atoms 44
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
28662966 10.1016/j.bmc.2017.06.026 Trichomonas vaginalis 1

Data from ChEMBL 36 via Core Engine