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Compound Detail

CHEMBL3781024

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NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(Cc2ccccc2)c(Br)n1)NC(=O)[C@@H]1CCC(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3781024
Phase Preclinical
Structure Type MOL
InChI Key MCTSLSUHNRJPGD-BZSNNMDCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

531.4
MW (Da)
0.48
ALogP
6
HBA
3
HBD
139.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27BrN6O4
MW 531.41
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
26854379 10.1016/j.ejmech.2016.01.038 Thyrotropin-releasing hormone receptor 2 3
26854379 10.1016/j.ejmech.2016.01.038 Thyrotropin-releasing hormone receptor 3
26854379 10.1016/j.ejmech.2016.01.038 Mus musculus 1

Data from ChEMBL 36 via Core Engine