Compound Detail

CHEMBL3480577

UCSF924

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Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3480577
Name	UCSF924
Phase	Preclinical
Structure Type	MOL
InChI Key	RPHDOVLXDYWDGF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

322.4

MW (Da)

3.81

ALogP

HBA

HBD

54.4

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug Chemical Probe

Extended Properties

Molecular Formula	C20H22N2O2
MW	322.41
Aromatic Rings	3
Heavy Atoms	24
NP-Likeness	-0.85

Activity Summary

Ki 88 meas. best 9.7

EC50 5 meas. best 9.7

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
D(4) dopamine receptor CHEMBL219	Ki	9.7	8.5811	0.2	9
D(4) dopamine receptor CHEMBL219	EC50	9.7	8.644	0.2	5
5-hydroxytryptamine receptor 1A CHEMBL214	Ki	6.67	6.6567	213.8	3
5-hydroxytryptamine receptor 2B CHEMBL1833	Ki	6.65	6.6367	223.9	3
Glutamate receptor ionotropic, NMDA 1 CHEMBL2015	Ki	6.0	6.0	1004.0	1
Glutamate [NMDA] receptor CHEMBL2094124	Ki	6.0	6.0	1000.0	2
Sodium-dependent dopamine transporter CHEMBL238	Ki	5.79	5.71	1621.8	3
Histamine H2 receptor CHEMBL1941	Ki	5.75	5.73	1778.3	3
Sigma intracellular receptor 2 CHEMBL4105907	Ki	5.72	5.72	1891.9	2
5-hydroxytryptamine receptor 7 CHEMBL3155	Ki	5.68	5.68	2075.7	2
Kappa-type opioid receptor CHEMBL237	Ki	5.66	5.65	2187.8	2
Alpha-2B adrenergic receptor CHEMBL1942	Ki	5.59	5.555	2570.4	2
D(3) dopamine receptor CHEMBL234	Ki	5.5	5.5	3162.3	2
5-hydroxytryptamine receptor 2A CHEMBL224	Ki	5.5	5.495	3162.3	2
D(1A) dopamine receptor CHEMBL2056	Ki	5.5	5.485	3162.3	2
5-hydroxytryptamine receptor 1D CHEMBL1983	Ki	5.5	5.495	3140.5	2
5-hydroxytryptamine receptor 1B CHEMBL1898	Ki	5.48	5.475	3311.3	2
5-hydroxytryptamine receptor 3A CHEMBL1899	Ki	5.43	5.415	3715.3	2
Muscarinic acetylcholine receptor M2 CHEMBL211	Ki	5.4	5.375	3981.1	2
Muscarinic acetylcholine receptor M1 CHEMBL216	Ki	5.4	5.395	3981.1	2
D(2) dopamine receptor CHEMBL217	Ki	5.4	5.38	3981.1	2
Histamine H1 receptor CHEMBL231	Ki	5.34	5.335	4553.0	2
5-hydroxytryptamine receptor 2C CHEMBL225	Ki	5.26	5.26	5495.4	2
5-hydroxytryptamine receptor 5A CHEMBL3426	Ki	5.25	5.245	5623.4	2
5-hydroxytryptamine receptor 6 CHEMBL3371	Ki	5.2	5.185	6309.6	2
5-hydroxytryptamine receptor 4 CHEMBL1875	Ki	5.2	5.185	6309.6	2
Histamine H3 receptor CHEMBL264	Ki	5.0	5.0	10000.0	1
Muscarinic acetylcholine receptor M3 CHEMBL245	Ki	5.0	5.0	10000.0	1
Histamine H4 receptor CHEMBL3759	Ki	5.0	5.0	10000.0	1
5-hydroxytryptamine receptor 1E CHEMBL2182	Ki	5.0	5.0	10000.0	2
Delta-type opioid receptor CHEMBL236	Ki	5.0	5.0	10000.0	1
Mu-type opioid receptor CHEMBL233	Ki	5.0	5.0	10000.0	1
Alpha-1B adrenergic receptor CHEMBL232	Ki	5.0	5.0	10000.0	1
Alpha-1A adrenergic receptor CHEMBL229	Ki	5.0	5.0	10000.0	1
Beta-1 adrenergic receptor CHEMBL213	Ki	5.0	5.0	10000.0	1
Beta-2 adrenergic receptor CHEMBL210	Ki	5.0	5.0	10000.0	1
Alpha-2C adrenergic receptor CHEMBL1916	Ki	5.0	5.0	10000.0	1
GABA-A receptor; anion channel CHEMBL1907607	Ki	5.0	5.0	10000.0	1
Alpha-2A adrenergic receptor CHEMBL1867	Ki	5.0	5.0	10000.0	1
D(1B) dopamine receptor CHEMBL1850	Ki	5.0	5.0	10000.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
D(4) dopamine receptor	EC50	=	0.2	nM	9.7	BRET-Gi dissociation assay	-
D(4) dopamine receptor	Ki	=	0.2	nM	9.7	Selectivity interaction (BRET-Gi dissociation assay) EUB0000539a DRD4	-
D(4) dopamine receptor	Ki	=	3.0	nM	8.52	Displacement of 3H-N-Methylspiperone from DRD4 in human HEK293T cells membrane a...	29051383
D(4) dopamine receptor	Ki	=	3.0	nM	8.52	Binding affinity to dopamine D4 receptor (unknown origin) assessed as inhibition...	37450764
D(4) dopamine receptor	Ki	=	3.0	nM	8.52	Displacement of [3H]-methylspiperone from D4 (unknown origin) receptor expressed...	33422983
D(4) dopamine receptor	Ki	=	3.0	nM	8.52	Radioligand binding assay (DRD4)	-
D(4) dopamine receptor	Ki	=	3.0	nM	8.52	Affinity Biochemical interaction (Radioligand binding assay) EUB0000539a DRD4	-
D(4) dopamine receptor	EC50	=	4.2	nM	8.38	Agonist activity at D4R (unknown origin) by camp reporter assay	33422983
D(4) dopamine receptor	EC50	=	4.2	nM	8.38	Affinity On-target Cellular interaction (Split luciferase based cAMP receptor as...	-
D(4) dopamine receptor	EC50	=	4.2	nM	8.38	Split luciferase based cAMP receptor assay	-
D(4) dopamine receptor	EC50	=	4.2	nM	8.38	Agonist activity at DRD4 expressed in human HEK293T cells assessed as cAMP accum...	29051383
D(4) dopamine receptor	Ki	=	4.9	nM	8.31	GPCRScan assay: inhibition of D4	-
D(4) dopamine receptor	Ki	=	4.898	nM	8.31	GPCRScan assay: inhibition of D4	-
D(4) dopamine receptor	Ki	=	4.9	nM	8.31	Selectivity interaction (PRESTO-Tango GPCR-ome screening) EUB0000539a DRD4	-
5-hydroxytryptamine receptor 1A	Ki	=	213.8	nM	6.67	GPCRScan assay: inhibition of 5-HT1A	-
5-hydroxytryptamine receptor 1A	Ki	=	223.0	nM	6.65	Selectivity interaction (PRESTO-Tango GPCR-ome screening) EUB0000539a HTR1A	-
5-hydroxytryptamine receptor 2B	Ki	=	223.87	nM	6.65	GPCRScan assay: inhibition of 5-HT2B	-
5-hydroxytryptamine receptor 1A	Ki	=	223.0	nM	6.65	GPCRScan assay: inhibition of 5-HT1A	-
5-hydroxytryptamine receptor 2B	Ki	=	236.67	nM	6.63	Selectivity interaction (PRESTO-Tango GPCR-ome screening) EUB0000539a HTR2B	-
5-hydroxytryptamine receptor 2B	Ki	=	236.67	nM	6.63	GPCRScan assay: inhibition of 5-HT2B	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL5674860	Colon cancer organoid	12
-	10.6019/CHEMBL5724558	Colon cancer organoid	12
-	10.6019/CHEMBL4689842	HEK-293T	10
-	10.6019/CHEMBL4689842	U2OS	9
-	10.6019/CHEMBL4689842	Fibroblast	9
-	10.6019/CHEMBL4507309	Unchecked	9
-	10.6019/CHEMBL4507309	5-hydroxytryptamine receptor 2C	7
-	10.6019/CHEMBL4507309	D(4) dopamine receptor	7
-	10.6019/CHEMBL5608141	Colon cancer organoid	6
-	10.6019/CHEMBL4507309	D(3) dopamine receptor	5
-	10.6019/CHEMBL4507309	D(2) dopamine receptor	5
-	10.1158/2159-8290.CD-23-0050	Colon cancer organoid	5
29051383	10.1126/science.aan5468	Unchecked	5
-	10.6019/CHEMBL4507309	Muscarinic acetylcholine receptor M1	4
-	10.6019/CHEMBL4507309	Alpha-2C adrenergic receptor	4
-	10.6019/CHEMBL4507309	Muscarinic acetylcholine receptor M3	4
-	10.6019/CHEMBL4507309	D(1B) dopamine receptor	4
-	10.6019/CHEMBL3988442	Unchecked	4
-	10.6019/CHEMBL4507309	Beta-2 adrenergic receptor	4
-	10.6019/CHEMBL4507309	Muscarinic acetylcholine receptor M2	4

Data from ChEMBL 36 via Core Engine