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Compound Detail

CHEMBL33827

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NC(=O)[C@@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL33827
Phase Preclinical
Structure Type MOL
InChI Key HERXWAGCWWUDMS-ZMFCMNQTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

560.6
MW (Da)
0.38
ALogP
10
HBA
3
HBD
151.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32N6O6
MW 560.61
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness 0.13

Literature References

PubMed DOI Target Context # Activities
15027861 10.1021/jm0304865 Motilin receptor 2

Data from ChEMBL 36 via Core Engine