Compound Detail

CHEMBL167779

ZUCLOMIPHENE

🧪 Phase II

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🧪 Phase II

CCN(CC)CCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL167779
Name	ZUCLOMIPHENE
Phase	Phase II
Structure Type	MOL
InChI Key	GKIRPKYJQBWNGO-QPLCGJKRSA-N

Known Names

Clomiphene cis-form ISOMER A RMI 16,312 RMI-16,312 RMI-16312 Transclomiphene Zuclomifene Zuclomifeno Zuclomiphene

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

406.0

MW (Da)

6.56

ALogP

HBA

HBD

12.5

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

USAN Year

1967

Extended Properties

Molecular Formula	C26H28ClNO
MW	405.97
Aromatic Rings	3
Heavy Atoms	29
NP-Likeness	-0.67

Activity Summary

IC50 4 meas. best 6.74

Ki 3 meas. best 8.7

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
C-8 sterol isomerase ERG2 CHEMBL3224	Ki	8.7	8.7	2.0	1
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase CHEMBL4931	Ki	8.7	8.7	2.0	1
Sigma non-opioid intracellular receptor 1 CHEMBL287	Ki	8.3	8.3	5.0	1
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	IC50	6.74	6.74	182.0	1
Isocitrate dehydrogenase [NADP] cytoplasmic CHEMBL2007625	IC50	4.42	4.3633	37860.0	3

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase	Ki	=	2.0	nM	8.7	Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerev...	16033255
C-8 sterol isomerase ERG2	Ki	=	2.0	nM	8.7	Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pe...	16033255
Sigma non-opioid intracellular receptor 1	Ki	=	5.0	nM	8.3	Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H...	16033255
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	181.97	nM	6.74	Inhibition of human ERG	21185626
Isocitrate dehydrogenase [NADP] cytoplasmic	IC50	=	37860.0	nM	4.42	Inhibition of IDH1 R132H mutant in human HT-1080 cells assessed as suppression o...	29847930
Isocitrate dehydrogenase [NADP] cytoplasmic	IC50	=	42330.0	nM	4.37	Inhibition of C-terminal Hexahistidine-tagged human recombinant IDH1 R132C mutan...	37235998
Isocitrate dehydrogenase [NADP] cytoplasmic	IC50	=	50200.0	nM	4.3	Inhibition of C-terminal Hexahistidine-tagged human recombinant IDH1 R132H mutan...	37235998

Literature References

PubMed	DOI	Target Context	# Activities
37235998	10.1016/j.ejmech.2023.115464	Isocitrate dehydrogenase [NADP] cytoplasmic	2
4009597	10.1021/jm00383a011	Calf thymus DNA	1
4009597	10.1021/jm00383a011	Estrogen receptor	1
16033255	10.1021/jm049073+	3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase	1
16033255	10.1021/jm049073+	Sigma non-opioid intracellular receptor 1	1
16033255	10.1021/jm049073+	C-8 sterol isomerase ERG2	1
21185626	10.1016/j.ejmech.2010.11.042	Voltage-gated inwardly rectifying potassium channel KCNH2	1
29847930	10.1021/acs.jmedchem.8b00159	Isocitrate dehydrogenase [NADP] cytoplasmic	1

Data from ChEMBL 36 via Core Engine