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Compound Detail

CHEMBL2413527

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Cc1cnn(-c2ccc(C)nc2C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNc2ncc(C(F)(F)F)cn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2413527
Phase Preclinical
Structure Type MOL
InChI Key YVAKGUIISMOEKF-RYRKJORJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

471.5
MW (Da)
3.66
ALogP
7
HBA
1
HBD
88.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24F3N7O
MW 471.49
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
23891187 10.1016/j.bmcl.2013.06.057 Orexin receptor type 2 1
23891187 10.1016/j.bmcl.2013.06.057 Orexin/Hypocretin receptor type 1 1

Data from ChEMBL 36 via Core Engine