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Compound Detail

CHEMBL1760347

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Cc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1760347
Phase Preclinical
Structure Type MOL
InChI Key RWRLSMQQUZZBHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

380.9
MW (Da)
4.00
ALogP
3
HBA
1
HBD
52.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN4O
MW 380.88
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.97

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.2 hr 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