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Compound Detail

CHEMBL389955

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CC(C)(C)c1nc(C[C@H](NC(=O)[C@H]2CCC(=O)C2)C(=O)N2CCC[C@H]2C(N)=O)c[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL389955
Phase Preclinical
Structure Type MOL
InChI Key KTHCCJBWKFJHQW-RCBQFDQVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
0.58
ALogP
5
HBA
3
HBD
138.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H31N5O4
MW 417.51
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
17035026 10.1016/j.bmc.2006.09.045 Thyrotropin-releasing hormone receptor 2
17035026 10.1016/j.bmc.2006.09.045 Thyrotropin-releasing hormone receptor 2 2

Data from ChEMBL 36 via Core Engine