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Compound Detail

CHEMBL482667

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O=C1NC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL482667
Phase Preclinical
Structure Type MOL
InChI Key PANHPCJYUHDCRL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
3.41
ALogP
4
HBA
2
HBD
87.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N5O2
MW 399.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 8.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 5
CHEMBL4561
IC50 8.43 8.43 3.7 1

Pharmacokinetic Data

Parameter Value Units Species
F 8.0 % Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19464889 10.1016/j.bmcl.2009.05.013 Rattus norvegicus 2
19464889 10.1016/j.bmcl.2009.05.013 Brain 1
19464889 10.1016/j.bmcl.2009.05.013 Neuropeptide Y receptor type 5 1

Data from ChEMBL 36 via Core Engine