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Compound Detail

CHEMBL4850970

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O=C(O)c1ccccc1-c1ccc(CN2C(=O)C3(CCCC3)N=C2CCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4850970
Phase Preclinical
Structure Type MOL
InChI Key VGZNQYJFUUSQTQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

452.6
MW (Da)
5.74
ALogP
3
HBA
1
HBD
70.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28N2O3
MW 452.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
34413955 10.1021/acsmedchemlett.1c00240 Leukotriene B4 receptor 2 2
34413955 10.1021/acsmedchemlett.1c00240 Type-1 angiotensin II receptor 1
34413955 10.1021/acsmedchemlett.1c00240 Leukotriene B4 receptor 1 1
34413955 10.1021/acsmedchemlett.1c00240 HepG2 1

Data from ChEMBL 36 via Core Engine