Compound Detail

CHEMBL2425543

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C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1cc(I)c(N)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2425543
Phase	Preclinical
Structure Type	MOL
InChI Key	COMKIAKFPLNXEK-GGBXHWPASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

755.6

MW (Da)

5.66

ALogP

HBA

HBD

135.8

PSA (Å²)

0.12

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 8.57

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL5102	Ki	8.57	8.545	2.7	2
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	Ki	6.0	5.875	990.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	Ki	=	2.68	nM	8.57	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o...	23981530
Transient receptor potential cation channel subfamily V member 1	Ki	=	3.01	nM	8.52	Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells	23981530
Transient receptor potential cation channel subfamily V member 1	Ki	=	990.0	nM	6.0	Displacement of [3H]RTX from human TRPV1 expressed in CHO cells	23981530
Transient receptor potential cation channel subfamily V member 1	Ki	=	1800.0	nM	5.75	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition...	23981530

PubMed	DOI	Target Context	# Activities
23981530	10.1016/j.ejmech.2013.07.042	Transient receptor potential cation channel subfamily V member 1	6

Data from ChEMBL 36 via Core Engine