Compound Detail

CHEMBL76903

OLVANIL

🧪 Phase II

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🧪 Phase II

CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL76903
Name	OLVANIL
Phase	Phase II
Structure Type	MOL
InChI Key	OPZKBPQVWDSATI-KHPPLWFESA-N

Known Names

NE-19550 Olvanil Olvanilo TCMDC-124289

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

417.6

MW (Da)

7.05

ALogP

HBA

HBD

58.6

PSA (Å²)

0.20

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

USAN Year

1986

Extended Properties

Molecular Formula	C26H43NO3
MW	417.63
Aromatic Rings	1
Heavy Atoms	30
NP-Likeness	0.30

Activity Summary

IC50 5 meas. best 6.8

EC50 4 meas. best 9.3

Ki 1 meas. best 6.85

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	EC50	9.3	9.3	0.5	1
Transient receptor potential cation channel subfamily V member 1 CHEMBL5102	Ki	6.85	6.85	142.0	1
Transient receptor potential cation channel subfamily V member 2 CHEMBL2863	IC50	6.8	6.285	160.0	2
Vanilloid receptor CHEMBL2096684	EC50	6.77	6.77	170.0	2
Transient receptor potential cation channel subfamily V member 1 CHEMBL5102	EC50	6.7	6.7	202.0	1
EFM-19 CHEMBL1075439	IC50	6.16	6.16	700.0	1
T47D CHEMBL614361	IC50	6.12	6.12	750.0	1
MCF7 CHEMBL387	IC50	6.0	6.0	1000.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	8.0	ug.hr/g	Mus musculus
AUC	0.1	ug.hr/g	Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	EC50	=	0.5012	nM	9.3	Concentration necessary to induce a relative half-maximal response measured by t...	12166946
Transient receptor potential cation channel subfamily V member 1	Ki	=	142.0	nM	6.85	Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells	22796184
Transient receptor potential cation channel subfamily V member 2	IC50	=	160.0	nM	6.8	Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed ...	30176215
Vanilloid receptor	EC50	=	170.0	nM	6.77	In vitro effective concentration for Ca++ uptake into dorsal root ganglia neuron...	8360883
Vanilloid receptor	EC50	=	170.0	nM	6.77	Compound tested in vitro for [Ca2+] influx into neonatal rat dorsal root ganglia...	8960554
Transient receptor potential cation channel subfamily V member 1	EC50	=	202.0	nM	6.7	Agonist activity at rat TRPV1 expressed in CHO cells assessed as calcium uptake	22796184
EFM-19	IC50	=	700.0	nM	6.16	Antiproliferative activity in human EFM-19 cells assessed as cell growth inhibit...	33508189
T47D	IC50	=	750.0	nM	6.12	Antiproliferative activity in human T47D cells assessed as cell growth inhibitio...	33508189
MCF7	IC50	=	1000.0	nM	6.0	Antiproliferative activity in human MCF7 cells assessed as cell growth inhibitio...	33508189
Transient receptor potential cation channel subfamily V member 2	IC50	=	1700.0	nM	5.77	Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed ...	30176215

Literature References

PubMed	DOI	Target Context	# Activities
33508189	10.1021/acs.jmedchem.0c01679	ADMET	7
-	10.6019/CHEMBL5303304	Fibroblast	6
-	10.6019/CHEMBL5303304	HEK-293T	5
-	10.6019/CHEMBL5303304	U2OS	5
8960554	10.1021/jm960512h	Mus musculus	4
20485427	10.1038/nature09107	Plasmodium falciparum	4
30176215	10.1021/acs.jmedchem.8b00734	Transient receptor potential cation channel subfamily V member 2	4
22796184	10.1016/j.bmcl.2012.06.059	Transient receptor potential cation channel subfamily V member 1	3
21257314	10.1016/j.bmc.2010.12.046	RAW264.7	3
21257314	10.1016/j.bmc.2010.12.046	HaCaT	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
12166946	10.1021/jm020844o	Transient receptor potential cation channel subfamily V member 1	2
8360883	10.1021/jm00068a016	Vanilloid receptor	1
-	10.6019/CHEMBL3433997	Solute carrier family 2, facilitated glucose transporter member 1	1
-	10.6019/CHEMBL3433997	Hexose transporter 1	1
16408004	10.1038/nchembio0705-85	Transient receptor potential cation channel subfamily V member 1	1
-	10.6019/CHEMBL5665443	Uracil-DNA glycosylase	1
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
20485427	10.1038/nature09107	Unchecked	1

Data from ChEMBL 36 via Core Engine