Compound Detail

CHEMBL254832

FENDILINE

🧪 Phase II

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🧪 Phase II

CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL254832
Name	FENDILINE
Phase	Phase II
Structure Type	MOL
InChI Key	NMKSAYKQLCHXDK-UHFFFAOYSA-N

Known Names

Fendilina Fendiline

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

315.5

MW (Da)

5.56

ALogP

HBA

HBD

12.0

PSA (Å²)

0.60

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Racemic

Flags

Natural Product

USAN Stem

-dil-

Extended Properties

Molecular Formula	C23H25N
MW	315.46
Aromatic Rings	3
Heavy Atoms	24
NP-Likeness	-0.43

Indications

Cardiovascular Diseases

ATC Classification

C08EA01

fendiline

Level 1: CARDIOVASCULAR SYSTEM

Level 2: CALCIUM CHANNEL BLOCKERS

Activity Summary

IC50 17 meas. best 5.25

EC50 3 meas. best 6.0

Kd 2 meas. best 6.3

Ki 1 meas. best 5.49

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Calmodulin CHEMBL6092	Kd	6.3	5.92	500.0	2
Extracellular calcium-sensing receptor CHEMBL1878	EC50	6.0	6.0	1000.0	1
Calmodulin CHEMBL6092	EC50	5.68	5.68	2100.0	1
5-hydroxytryptamine receptor 2B CHEMBL1833	Ki	5.49	5.49	3217.0	1
Unchecked CHEMBL612545	EC50	5.36	5.36	4350.0	1
Sphingomyelin phosphodiesterase CHEMBL2760	IC50	5.25	5.25	5600.0	1
SK-CO-1 CHEMBL1075576	IC50	5.11	5.11	7800.0	1
MEF CHEMBL614342	IC50	5.09	4.9067	8100.0	3
MIA PaCa-2 CHEMBL614725	IC50	5.04	5.04	9200.0	1
HEC-1-A CHEMBL4296424	IC50	5.02	5.02	9480.0	1
HEC-1B cell line CHEMBL614817	IC50	5.01	5.01	9800.0	1
Unchecked CHEMBL612545	IC50	4.97	4.965	10800.0	2
NCI-H23 CHEMBL614997	IC50	4.94	4.94	11400.0	1
Caco-2 CHEMBL614058	IC50	4.84	4.84	14500.0	1
Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL2366456	IC50	4.77	4.77	17000.0	1
NCI-H1299 CHEMBL612255	IC50	4.61	4.61	24300.0	1
BXPC-3 CHEMBL614530	IC50	4.54	4.54	28600.0	1
NCI-H522 CHEMBL614387	IC50	4.53	4.53	29600.0	1
Transcriptional activator protein LuxR CHEMBL5351	IC50	4.04	4.04	91000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Calmodulin	Kd	=	500.0	nM	6.3	Binding affinity to dansylated bovine testes CaM by fluorescence analysis in pre...	27043269
Extracellular calcium-sensing receptor	EC50	=	1000.0	nM	6.0	Positive allosteric modulation of human CaSR transfected in CHO cells after 5 hr...	23465611
Calmodulin	EC50	=	2100.0	nM	5.68	Binding affinity to dansylated bovine brain CaM assessed as half maximal increas...	27043269
Calmodulin	Kd	=	2900.0	nM	5.54	Binding affinity to bovine brain CaM by FTPFACE analysis	27043269
5-hydroxytryptamine receptor 2B	Ki	=	3217.0	nM	5.49	Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in CHO cells ...	20958049
Unchecked	EC50	=	4350.0	nM	5.36	Inhibition of RML prion protein infected in mouse dividing ScN2a-cl3 cells expre...	24183589
Sphingomyelin phosphodiesterase	IC50	=	5600.0	nM	5.25	Inhibition of ASM (unknown origin)-mediated KRAS mislocalization from plasma mem...	33756124
SK-CO-1	IC50	=	7800.0	nM	5.11	Antiproliferative activity against human SK-CO-1 cells expressing mutant KRAS as...	33756124
MEF	IC50	=	8100.0	nM	5.09	Antiproliferative activity against mouse MEF cells expressing KRAS G12V mutant a...	33756124
MIA PaCa-2	IC50	=	9200.0	nM	5.04	Antiproliferative activity against human MIA PaCa-2 cells expressing KRAS mutant...	33756124
HEC-1-A	IC50	=	9480.0	nM	5.02	Antiproliferative activity against human HEC-1-A cells expressing mutant KRAS as...	33756124
HEC-1B cell line	IC50	=	9800.0	nM	5.01	Antiproliferative activity against human HEC-1B cells expressing mutant KRAS ass...	33756124
Unchecked	IC50	=	10800.0	nM	4.97	Antiproliferative activity against human MPANC96 cells expressing KRAS mutant as...	33756124
Unchecked	IC50	=	11100.0	nM	4.96	Antiproliferative activity against human MOH cells expressing KRAS mutant assess...	33756124
NCI-H23	IC50	=	11400.0	nM	4.94	Antiproliferative activity against human NCI-H23 cells expressing mutant KRAS as...	33756124
MEF	IC50	=	13100.0	nM	4.88	Antiproliferative activity against mouse MEF cells expressing KRAS G12D mutant a...	33756124
Caco-2	IC50	=	14500.0	nM	4.84	Antiproliferative activity against human Caco-2 cells expressing wild type KRAS ...	33756124
Voltage-dependent L-type calcium channel subunit alpha-1C	IC50	=	17000.0	nM	4.77	Inhibition of L-type calcium channel measured using whole-cell patch clamp in gu...	22761000
MEF	IC50	=	17800.0	nM	4.75	Cytotoxicity against mouse MEF cells expressing BRAF V600E mutant and wild type ...	33756124
NCI-H1299	IC50	=	24300.0	nM	4.61	Antiproliferative activity against human NCI-H1299 cells expressing wild type KR...	33756124

Literature References

PubMed	DOI	Target Context	# Activities
38091891	10.1016/j.ejmech.2023.116018	Stimulator of interferon genes protein	28
38091891	10.1016/j.ejmech.2023.116018	MC-38	13
38091891	10.1016/j.ejmech.2023.116018	CT26	11
33756124	10.1016/j.ejmech.2021.113381	Unchecked	8
38091891	10.1016/j.ejmech.2023.116018	Human alphaherpesvirus 1	7
38091891	10.1016/j.ejmech.2023.116018	Unchecked	7
38091891	10.1016/j.ejmech.2023.116018	ADMET	5
33756124	10.1016/j.ejmech.2021.113381	MEF	3
27043269	10.1016/j.ejmech.2016.03.045	Calmodulin	3
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
18027916	10.1021/jm070524a	No relevant target	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
33756124	10.1016/j.ejmech.2021.113381	Sphingomyelin phosphodiesterase	2
33756124	10.1016/j.ejmech.2021.113381	MIA PaCa-2	2
24183589	10.1016/j.bmc.2013.09.022	Unchecked	2
24249037	10.1007/s11095-013-1232-z	No relevant target	2
37468498	10.1038/s41467-023-40064-9	Prostaglandin G/H synthase 1	2
20615699	10.1016/j.bmcl.2010.06.081	Transcriptional activator protein LuxR	2
37468498	10.1038/s41467-023-40064-9	Mu-type opioid receptor	2

Data from ChEMBL 36 via Core Engine