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Compound Detail

CHEMBL12187

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CN1CCN(C(CN2CCN(CCC(=O)c3ccccc3)CC2)c2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12187
Phase Preclinical
Structure Type MOL
InChI Key XJGAPXSPECFBHF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
3.00
ALogP
5
HBA
0
HBD
30.0
PSA (Ų)
0.59
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 C26H35FN4O
MW 438.59
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
12502354 10.1021/jm0255522 Melanocortin receptor 4 2
12502354 10.1021/jm0255522 Unchecked 1

Data from ChEMBL 36 via Core Engine