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Compound Detail

CHEMBL437735

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NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c(C2CCCCC2)n1)NC(=O)[C@@H]1CCCC(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL437735
Phase Preclinical
Structure Type BOTH
InChI Key QMIJXNVCZSVRKE-BZSNNMDCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
0.63
ALogP
5
HBA
4
HBD
150.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H34N6O4
MW 458.56
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness -0.47

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