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Compound Detail

CHEMBL216561

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Cc1ccc(Nc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)CCc2ccccc2)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL216561
Phase Preclinical
Structure Type MOL
InChI Key OATVXMWRDWUMLV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.6
MW (Da)
5.44
ALogP
4
HBA
3
HBD
73.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H36N4O2
MW 484.64
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.62

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