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Compound Detail

CHEMBL1760219

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NC(=O)c1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1760219
Phase Preclinical
Structure Type MOL
InChI Key YYTFXJCOIXEZTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

409.9
MW (Da)
2.79
ALogP
4
HBA
2
HBD
95.3
PSA (Ų)
0.69
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 C21H20ClN5O2
MW 409.88
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.81

Pharmacokinetic Data

Parameter Value Units Species
t1/2 - - Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
21376585 10.1016/j.bmcl.2011.02.033 Neuromedin-K receptor 2
21376585 10.1016/j.bmcl.2011.02.033 Liver microsomes 1
21376585 10.1016/j.bmcl.2011.02.033 Plasma 1

Data from ChEMBL 36 via Core Engine