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Compound Detail

CHEMBL5183482

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O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL5183482
Phase Preclinical
Structure Type MOL
InChI Key SQARGTVFGVLOFV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

516.6
MW (Da)
4.66
ALogP
5
HBA
1
HBD
65.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33FN4O3
MW 516.62
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.71

Activity Summary

Ki 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vasopressin V2 receptor
CHEMBL1790
Ki 6.26 6.26 543.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35579344 10.1021/acs.jmedchem.2c00567 Vasopressin V2 receptor 1

Data from ChEMBL 36 via Core Engine