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Compound Detail

CHEMBL386968

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Cc1ccc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)Nc2ccccn2)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL386968
Phase Preclinical
Structure Type MOL
InChI Key XPNIAZZIDVYNBI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

473.6
MW (Da)
4.96
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.43
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 C27H31N5O3
MW 473.58
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.86

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