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Compound Detail

CHEMBL369944

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NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c(C23CC4CC(CC(C4)C2)C3)n1)NC(=O)[C@@H]1CCC(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL369944
Phase Preclinical
Structure Type MOL
InChI Key HLSSOACOJFPTPF-UQOYHGSASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
0.66
ALogP
5
HBA
4
HBD
150.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H36N6O4
MW 496.61
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
16162016 10.1021/jm0505462 Thyrotropin-releasing hormone receptor 2
16162016 10.1021/jm0505462 Thyrotropin-releasing hormone receptor 2 2

Data from ChEMBL 36 via Core Engine