Compound Detail

CHEMBL283356

L-706125

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Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL283356
Name	L-706125
Phase	Preclinical
Structure Type	MOL
InChI Key	PXZTVHCMFSPYCK-VMPREFPWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

411.6

MW (Da)

6.11

ALogP

HBA

HBD

12.5

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 9.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Substance-P receptor CHEMBL249	IC50	9.0	8.1567	1.0	6

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Substance-P receptor	IC50	=	1.0	nM	9.0	Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in C...	-
Substance-P receptor	IC50	=	1.0	nM	9.0	Binding affinity towards human Tachykinin receptor 1 expressed in CHO cells by t...	-
Substance-P receptor	IC50	=	1.0	nM	9.0	Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed...	9733486
Substance-P receptor	IC50	=	2.0	nM	8.7	Binding affinity towards wild type human Wild-type tachykinin receptor 1 express...	-
Substance-P receptor	IC50	=	196.0	nM	6.71	Binding affinity towards human mutant NK-1 receptor in which His-197 has been re...	-
Substance-P receptor	IC50	=	295.12	nM	6.53	Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed...	9733486

PubMed	DOI	Target Context	# Activities
-	10.1016/0960-894X(95)00205-8	Substance-P receptor	2
9733486	10.1021/jm9700171	Substance-P receptor	2
-	10.1016/S0960-894X(00)80349-2	Substance-P receptor	1
-	10.1016/S0960-894X(01)80531-X	Substance-P receptor	1

Data from ChEMBL 36 via Core Engine