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Compound Detail

CHEMBL265132

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Cc1ccc(Sc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)CCc2ccccc2)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL265132
Phase Preclinical
Structure Type MOL
InChI Key ZJUCJJGRDRDRFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

501.7
MW (Da)
5.85
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.37
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35N3O2S
MW 501.70
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.67

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