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Compound Detail

CHEMBL297509

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O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1)C1CCc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL297509
Phase Preclinical
Structure Type MOL
InChI Key AYQQLDSQIWJEDR-INCBEPGWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

490.7
MW (Da)
4.85
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H34N2O3S
MW 490.67
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
12067558 10.1016/s0960-894x(02)00288-3 Neuropeptide Y receptor type 5 1

Data from ChEMBL 36 via Core Engine