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Compound Detail

CHEMBL3797685

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CC(C)(C)Cn1cc(Cl)cc(C(N)=O)c1=N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3797685
Phase Preclinical
Structure Type MOL
InChI Key OAIFVLZJGAOXDL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

241.7
MW (Da)
1.77
ALogP
3
HBA
2
HBD
71.9
PSA (Ų)
0.81
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 C11H16ClN3O
MW 241.72
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.00

Activity Summary

Ki 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-1D adrenergic receptor
CHEMBL223
 Ki 6.09 6.09 820.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha-1D adrenergic receptor Ki = 820.0 nM 6.09 Displacement of 7-methoxy-[3H]-prazosin from human alpha1D adrenergic receptor e... 26954848

Literature References

PubMed DOI Target Context # Activities
26954848 10.1021/acs.jmedchem.5b01528 Alpha-1D adrenergic receptor 1

Data from ChEMBL 36 via Core Engine