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Compound Detail

CHEMBL17926

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CN1CC=C(c2ncccc2Cl)CC1

Basic Information

ChEMBL ID CHEMBL17926
Phase Preclinical
Structure Type MOL
InChI Key DYEVMJXVMZRRPM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

208.7
MW (Da)
2.45
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13ClN2
MW 208.69
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.67

Activity Summary

Ki 2 meas. best 7.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 7.14 7.14 72.0 1
Alpha-1A adrenergic receptor
CHEMBL4892
Ki 5.65 5.65 2260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
6088770 10.1021/jm00375a017 Unchecked 2
6088770 10.1021/jm00375a017 Alpha-1A adrenergic receptor 1
6088770 10.1021/jm00375a017 Adrenergic receptor alpha-2 1

Data from ChEMBL 36 via Core Engine