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Compound Detail

CHEMBL198449

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N#CC(CCCN1CCC(C(=O)O)CC1)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL198449
Phase Preclinical
Structure Type MOL
InChI Key SPPOCCZNANOPDP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
4.07
ALogP
3
HBA
1
HBD
64.3
PSA (Ų)
0.81
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 C23H26N2O2
MW 362.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
16190772 10.1021/jm050418d G-protein coupled receptor homolog US28 2

Data from ChEMBL 36 via Core Engine