Compound Detail

CHEMBL423417

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O=C1CN(S(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1Cc1cc2c[nH]ccc-2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL423417
Phase	Preclinical
Structure Type	MOL
InChI Key	ATZNQQCXCDUFKO-XBXARRHUSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

436.9

MW (Da)

2.87

ALogP

HBA

HBD

86.4

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 8.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Coagulation factor X CHEMBL244	Ki	8.96	8.96	1.1	3

Parameter	Value	Units	Species
Cmax	1638.0	nM	Canis lupus familiaris
F	97.0	%	Canis lupus familiaris
F	97.0	%	Canis lupus familiaris
T1/2	0.8667	hr	Canis lupus familiaris
T1/2	0.8667	hr	Canis lupus familiaris

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Coagulation factor X	Ki	=	1.1	nM	8.96	Binding affinity of compound toward human Coagulation factor X was evaluated	12593649
Coagulation factor X	Ki	=	1.1	nM	8.96	Binding affinity (in vitro) towards human Coagulation factor X was determined at...	12593648
Coagulation factor X	Ki	=	1.1	nM	8.96	Inhibition of factor 10a	20503967

PubMed	DOI	Target Context	# Activities
12593648	10.1021/jm020384z	Unchecked	3
12593648	10.1021/jm020384z	Canis familiaris	3
20503967	10.1021/jm100146h	Canis familiaris	2
12593649	10.1021/jm0203837	Coagulation factor X	1
12593649	10.1021/jm0203837	Serine protease 1	1
12593649	10.1021/jm0203837	Prothrombin	1
12593648	10.1021/jm020384z	Coagulation factor X	1
12593648	10.1021/jm020384z	Homo sapiens	1
12593648	10.1021/jm020384z	ADMET	1
20503967	10.1021/jm100146h	Coagulation factor X	1
20503967	10.1021/jm100146h	NON-PROTEIN TARGET	1

Data from ChEMBL 36 via Core Engine