Compound Detail

CHEMBL5862487

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Cc1ccc2c(-c3cnn4cc(-c5ccc(OC6CCN(C)CC6)cn5)cnc34)cccc2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5862487
Phase	Preclinical
Structure Type	MOL
InChI Key	ILUYOBAWAMCPBZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

450.6

MW (Da)

4.79

ALogP

HBA

HBD

68.4

PSA (Å²)

0.39

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 10 meas. best 6.81

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Activin receptor type-1 CHEMBL5903	IC50	6.81	6.81	155.0	2
Activin receptor type-1-like CHEMBL5311	IC50	6.12	6.12	766.0	1
Unchecked CHEMBL612545	IC50	6.12	6.12	766.0	1
Bone morphogenetic protein receptor type-1B CHEMBL5476	IC50	5.95	5.95	1112.0	2
Bone morphogenetic protein receptor type-1A CHEMBL5275	IC50	4.96	4.96	11060.0	2
Activin receptor type-1B CHEMBL5310	IC50	4.27	4.27	54180.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Activin receptor type-1	IC50	=	155.0	nM	6.81	ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra...	-
Activin receptor type-1	IC50	=	155.0	nM	6.81	Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ...	-
Unchecked	IC50	=	766.0	nM	6.12	ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra...	-
Activin receptor type-1-like	IC50	=	766.0	nM	6.12	Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ...	-
Bone morphogenetic protein receptor type-1B	IC50	=	1112.0	nM	5.95	ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra...	-
Bone morphogenetic protein receptor type-1B	IC50	=	1112.0	nM	5.95	Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ...	-
Bone morphogenetic protein receptor type-1A	IC50	=	11060.0	nM	4.96	ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra...	-
Bone morphogenetic protein receptor type-1A	IC50	=	11060.0	nM	4.96	Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ...	-
Activin receptor type-1B	IC50	=	54180.0	nM	4.27	ALK1-6 enzymatic assays: Specifically, compounds were assayed using LANCE® Ultra...	-
Activin receptor type-1B	IC50	=	54180.0	nM	4.27	Enzyme Assay: Compounds were assessed in ALK1-6 enzymatic assays. Specifically, ...	-

Data from ChEMBL 36 via Core Engine