Compound Detail

CHEMBL5892456

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N#Cc1cc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)ccc1N1CCNCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5892456
Phase	Preclinical
Structure Type	MOL
InChI Key	UTCHZVUDAGSGMY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

431.5

MW (Da)

3.89

ALogP

HBA

HBD

82.1

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C26H21N7
MW	431.50
Aromatic Rings	5
Heavy Atoms	33
NP-Likeness	-1.29

Activity Summary

IC50 12 meas. best 7.62

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Activin receptor type-1 CHEMBL5903	IC50	7.62	7.62	24.0	2
Activin receptor type-1-like CHEMBL5311	IC50	7.04	7.04	91.0	1
Unchecked CHEMBL612545	IC50	7.04	5.5133	91.0	3
Bone morphogenetic protein receptor type-1A CHEMBL5275	IC50	6.65	6.65	225.0	2
Activin receptor type-1B CHEMBL5310	IC50	5.57	5.57	2715.0	2
Bone morphogenetic protein receptor type-1B CHEMBL5476	IC50	4.99	4.99	10346.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Activin receptor type-1	IC50	=	24.0	nM	7.62	ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra...	-
Activin receptor type-1	IC50	=	24.0	nM	7.62	Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ...	-
Unchecked	IC50	=	91.0	nM	7.04	ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra...	-
Activin receptor type-1-like	IC50	=	91.0	nM	7.04	Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ...	-
Bone morphogenetic protein receptor type-1A	IC50	=	225.0	nM	6.65	ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra...	-
Bone morphogenetic protein receptor type-1A	IC50	=	225.0	nM	6.65	Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ...	-
Activin receptor type-1B	IC50	=	2715.0	nM	5.57	ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra...	-
Activin receptor type-1B	IC50	=	2715.0	nM	5.57	Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ...	-
Bone morphogenetic protein receptor type-1B	IC50	=	10346.0	nM	4.99	ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra...	-
Bone morphogenetic protein receptor type-1B	IC50	=	10346.0	nM	4.99	Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ...	-
Unchecked	IC50	=	18000.0	nM	4.75	ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra...	-
Unchecked	IC50	=	18000.0	nM	4.75	Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ...	-

Data from ChEMBL 36 via Core Engine