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Compound Detail

CHEMBL1480648

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COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1

Basic Information

ChEMBL ID CHEMBL1480648
Phase Preclinical
Structure Type MOL
InChI Key YHSSUFBBTYGHMU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.4
MW (Da)
3.38
ALogP
7
HBA
1
HBD
91.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17N3O5
MW 415.41
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.46

Activity Summary

IC50 2 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 2
CHEMBL4018
IC50 5.14 5.14 7171.0 1
Neuropeptide Y receptor type 1
CHEMBL4777
IC50 5.14 5.14 7156.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine