Compound Detail

CHEMBL5181767

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Fc1ccc(-c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5181767
Phase	Preclinical
Structure Type	MOL
InChI Key	FZDBUWPPVZCIKN-HXUWFJFHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

394.4

MW (Da)

5.16

ALogP

HBA

HBD

33.4

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 6 meas. best 8.25

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	8.25	7.83	5.6	2
High affinity nerve growth factor receptor CHEMBL2815	IC50	8.1	7.565	7.9	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	5.6	nM	8.25	Inhibition of TRKA G696A mutant (unknown origin) using TK-sub biotin peptide sub...	35486994
High affinity nerve growth factor receptor	IC50	=	7.9	nM	8.1	Inhibition of TRKA G595R mutant (unknown origin) using TK-sub biotin peptide sub...	35486994
High affinity nerve growth factor receptor	IC50	=	20.3	nM	7.69	Inhibition of TRKA G623R mutant (unknown origin) using TK-sub biotin peptide sub...	35486994
Unchecked	IC50	=	38.8	nM	7.41	Inhibition of TRKA F589L mutant (unknown origin) using TK-sub biotin peptide sub...	35486994
High affinity nerve growth factor receptor	IC50	=	40.6	nM	7.39	Inhibition of TRKA G667C mutant (unknown origin) using TK-sub biotin peptide sub...	35486994
High affinity nerve growth factor receptor	IC50	=	82.9	nM	7.08	Inhibition of recombinant human His-tagged TRKA cytoplasmic domain (441 to 796 r...	35486994

PubMed	DOI	Target Context	# Activities
35486994	10.1016/j.ejmech.2022.114406	High affinity nerve growth factor receptor	4
35486994	10.1016/j.ejmech.2022.114406	Unchecked	2

Data from ChEMBL 36 via Core Engine