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Compound Detail

CHEMBL2426332

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CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(C(N)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2426332
Phase Preclinical
Structure Type MOL
InChI Key IZYUHQZCONORAF-XYDQKOHOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

673.8
MW (Da)
3.57
ALogP
7
HBA
4
HBD
172.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H47N5O7
MW 673.81
Aromatic Rings 3
Heavy Atoms 49
NP-Likeness 1.30

Literature References

PubMed DOI Target Context # Activities
24020843 10.1021/np400196w Toxoplasma gondii 1

Data from ChEMBL 36 via Core Engine