Compound Detail

CHEMBL275707

RIMCAZOLE

🧪 Phase II

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🧪 Phase II

C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL275707
Name	RIMCAZOLE
Phase	Phase II
Structure Type	MOL
InChI Key	GUDVQJXODNJRIJ-CALCHBBNSA-N

Known Names

BW 234U BW-234U Rimcazol Rimcazole

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

321.5

MW (Da)

3.87

ALogP

HBA

HBD

20.2

PSA (Å²)

0.79

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

USAN Year

1986

Extended Properties

Molecular Formula	C21H27N3
MW	321.47
Aromatic Rings	3
Heavy Atoms	24
NP-Likeness	-0.48

Activity Summary

Ki 23 meas. best 7.01

IC50 17 meas. best 7.24

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sodium-dependent dopamine transporter CHEMBL338	IC50	7.24	7.045	57.6	2
Sodium-dependent dopamine transporter CHEMBL338	Ki	7.01	6.788	97.7	5
Sigma non-opioid intracellular receptor 1 CHEMBL3602	IC50	6.75	6.1675	180.0	4
Sigma 2 receptor CHEMBL613288	IC50	6.75	6.58	180.0	2
Sigma non-opioid intracellular receptor 1 CHEMBL3602	Ki	6.52	6.52	302.0	1
Unchecked CHEMBL612545	Ki	6.52	6.28	302.0	2
Sigma non-opioid intracellular receptor 1 CHEMBL287	IC50	6.35	6.074	450.0	5
Sigma non-opioid intracellular receptor 1 CHEMBL287	Ki	6.17	6.1	680.0	3
Sigma non-opioid intracellular receptor 1 CHEMBL3465	Ki	6.09	6.09	820.0	1
Sodium-dependent serotonin transporter CHEMBL313	Ki	6.08	5.8475	825.0	4
Sigma non-opioid intracellular receptor 1 CHEMBL4153	Ki	6.05	6.045	893.0	2
Sigma non-opioid intracellular receptor 1 CHEMBL4153	IC50	6.02	5.99	960.0	2
Scavenger receptor class B member 1 CHEMBL1914272	IC50	5.92	5.92	1200.0	1
Norepinephrine transporter CHEMBL304	Ki	5.67	5.67	2160.0	3
Serotonin 2 (5-HT2) receptor CHEMBL2095200	Ki	5.61	5.61	2482.0	1
Serotonin 2 (5-HT2) receptor CHEMBL2096671	Ki	5.55	5.55	2842.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	222.8	-	Chlorocebus sabaeus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sodium-dependent dopamine transporter	IC50	=	57.6	nM	7.24	Binding affinity was evaluated using [3H]WIN-35428 binding to dopamine transport...	9435903
Sodium-dependent dopamine transporter	Ki	=	97.7	nM	7.01	Displacement of [3H]WIN-35428 from DAT in rat striatum membrane	18774292
Sodium-dependent dopamine transporter	Ki	=	104.71	nM	6.98	Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radiolig...	11063611
Sodium-dependent dopamine transporter	IC50	=	140.0	nM	6.85	Inhibition of Dopamine uptake in male Sprague-Dawley rats using [3H]DA ligand	10543888
Sigma non-opioid intracellular receptor 1	IC50	=	180.0	nM	6.75	Binding affinity towards Sigma receptor type 2 in whole rat brain homogenates ex...	7783132
Sigma 2 receptor	IC50	=	180.0	nM	6.75	Binding affinity towards sigma receptor binding site 2 using [3H]DTG of whole ra...	7783131
Sodium-dependent dopamine transporter	Ki	=	224.0	nM	6.65	Binding affinity at Dopamine transporter by displacing [3H]WIN-35428 from rat ca...	11720867
Sodium-dependent dopamine transporter	Ki	=	224.0	nM	6.65	Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand	10543888
Sodium-dependent dopamine transporter	Ki	=	224.0	nM	6.65	Binding affinity against dopamine transporter was determined by the displacement...	12801223
Unchecked	Ki	=	302.0	nM	6.52	Displacement of [3H]-DTG from sigma 2 receptor in Sprague-Dawley rat liver membr...	27614411
Sigma non-opioid intracellular receptor 1	Ki	=	302.0	nM	6.52	The compound was tested for binding affinity of Sigma opioid receptor type 2 in ...	10543888
Sigma 2 receptor	IC50	=	386.0	nM	6.41	Binding affinity was evaluated using [3H]-DTG binding to sigma-2 receptor from r...	9435903
Sigma non-opioid intracellular receptor 1	IC50	=	450.0	nM	6.35	Inhibition of specific binding of [3H]NANM of sigma receptor in Guinea pig brain...	1469697
Sigma non-opioid intracellular receptor 1	IC50	=	588.84	nM	6.23	The compound was tested for affinity towards sigma-3 receptor	7990111
Sigma non-opioid intracellular receptor 1	Ki	=	680.0	nM	6.17	Binding affinity against the sigma receptor from guinea pig brain using the radi...	-
Sigma non-opioid intracellular receptor 1	IC50	=	690.0	nM	6.16	Binding affinity towards sigma receptor binding site 1 using [3H](+)-pentazocine	7783131
Sigma non-opioid intracellular receptor 1	IC50	=	690.0	nM	6.16	Compound was evaluated for the binding affinity towards Sigma receptor type 1 us...	7783132
Sigma non-opioid intracellular receptor 1	IC50	=	780.0	nM	6.11	Inhibition of specific binding of [125I]PIPAG to sigma receptor in Guinea pig br...	1469697
Sigma non-opioid intracellular receptor 1	Ki	=	820.0	nM	6.09	In vitro binding affinity for the mouse sigma opioid receptor	1360026
Sigma non-opioid intracellular receptor 1	Ki	=	820.0	nM	6.09	Binding affinity for sigma receptor of guinea pig whole brain using [3H]-SKF- 10...	7905926

Literature References

PubMed	DOI	Target Context	# Activities
10649973	10.1021/jm980333v	Mus musculus	4
11720867	10.1016/s0960-894x(01)00662-x	Mus musculus	4
9240356	10.1021/jm9603781	Trypanothione reductase	3
1469697	10.1021/jm00103a005	Sigma non-opioid intracellular receptor 1	3
7783132	10.1021/jm00011a020	Sigma non-opioid intracellular receptor 1	3
18029187	10.1016/j.bmc.2007.10.037	Sigma non-opioid intracellular receptor 1	3
7905926	10.1021/jm00029a008	Mus musculus	2
18774292	10.1016/j.bmcl.2008.08.065	Unchecked	2
1360026	10.1021/jm00101a012	Mus musculus	2
32353859	10.1038/s41586-020-2286-9	SARS-CoV-2	2
32353859	10.1038/s41586-020-2286-9	Vero C1008	2
10543888	10.1021/jm9902943	Sodium-dependent dopamine transporter	2
7783131	10.1021/jm00011a019	Sigma non-opioid intracellular receptor 1	2
12801223	10.1021/jm030008u	No relevant target	1
2884314	10.1021/jm00389a022	Rattus norvegicus	1
2884314	10.1021/jm00389a022	D(2) dopamine receptor	1
12801223	10.1021/jm030008u	Monoamine transporters; Norepininephrine & dopamine	1
12801223	10.1021/jm030008u	Norepinephrine transporter	1
12801223	10.1021/jm030008u	Sodium-dependent serotonin transporter	1
-	10.1016/S0960-894X(01)80443-1	D(2) dopamine receptor	1

Data from ChEMBL 36 via Core Engine