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Compound Detail

CHEMBL214177

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CCC(=O)Nc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(C)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL214177
Phase Preclinical
Structure Type MOL
InChI Key GBYGZYDTFFMMED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
4.27
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N3O3
MW 409.53
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
16887348 10.1016/j.bmcl.2006.07.040 Melanin-concentrating hormone receptor 1 3

Data from ChEMBL 36 via Core Engine