Compound Detail

CHEMBL1641684

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Cl.Clc1ccc2[nH]nc(N=C3NCCN3)c2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1641684
Phase	Preclinical
Structure Type	MOL
InChI Key	ASTOSGBWHLXFFR-UHFFFAOYSA-N
Parent Compound	CHEMBL1739225
Active Moiety	CHEMBL1739225

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

235.7

MW (Da)

1.40

ALogP

HBA

HBD

65.1

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 6.92

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Adrenergic receptor alpha-1 CHEMBL1907610	Ki	6.92	6.92	121.0	1
Adrenergic receptor alpha-2 CHEMBL2093864	Ki	4.97	4.97	10600.0	1
Nischarin CHEMBL5221	Ki	4.03	4.03	93000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Adrenergic receptor alpha-1	Ki	=	121.0	nM	6.92	Displacement of [3H]prazosin from alpha1 adrenergic receptor in Sprague-Dawley r...	21129985
Adrenergic receptor alpha-2	Ki	=	10600.0	nM	4.97	Displacement of [3H]RX821002 from alpha2 adrenergic receptor in Sprague-Dawley r...	21129985
Nischarin	Ki	=	93000.0	nM	4.03	Displacement of [3H]2BFI from imidazoline I1 receptor in Sprague-Dawley rat brai...	21129985

PubMed	DOI	Target Context	# Activities
21129985	10.1016/j.bmc.2010.11.020	Nischarin	2
21129985	10.1016/j.bmc.2010.11.020	Adrenergic receptor alpha-1	1
21129985	10.1016/j.bmc.2010.11.020	Adrenergic receptor alpha-2	1
21129985	10.1016/j.bmc.2010.11.020	Unchecked	1

Data from ChEMBL 36 via Core Engine