Compound Detail

CHEMBL8273

SULOTROBAN

🧪 Phase II

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🧪 Phase II

O=C(O)COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL8273
Name	SULOTROBAN
Phase	Phase II
Structure Type	MOL
InChI Key	XTNWJMVJVSGKLR-UHFFFAOYSA-N

Known Names

BM 13.177 BM-13.177 BM-13177 BM13177 SK&F 95587 SK&F-95587 SKF-95587 SKF95587 Sulotroban

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

335.4

MW (Da)

1.67

ALogP

HBA

HBD

92.7

PSA (Å²)

0.77

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem	-troban
USAN Year	1989

Extended Properties

Molecular Formula	C16H17NO5S
MW	335.38
Aromatic Rings	2
Heavy Atoms	23
NP-Likeness	-1.22

Activity Summary

IC50 18 meas. best 6.58

Ki 5 meas. best 6.19

Kd 2 meas. best 7.09

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Thromboxane A2 receptor CHEMBL3156	Kd	7.09	7.09	81.3	1
ADMET CHEMBL612558	Kd	7.09	7.09	81.3	1
Rattus norvegicus CHEMBL376	IC50	6.58	6.096	260.0	5
Oryctolagus cuniculus CHEMBL374	IC50	6.52	5.7529	300.0	7
Thromboxane A2 receptor CHEMBL2069	Ki	6.19	5.99	650.0	3
Unchecked CHEMBL612545	Ki	5.89	5.89	1300.0	2
Thromboxane A2 receptor CHEMBL3156	IC50	5.82	5.82	1500.0	1
Homo sapiens CHEMBL372	IC50	5.82	5.195	1500.0	4
Thromboxane-A synthase CHEMBL1835	IC50	4.03	4.03	94100.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
ADMET	Kd	=	81.28	nM	7.09	Negative logarithm of the drug concentration	16220969
Thromboxane A2 receptor	Kd	=	81.28	nM	7.09	Compound was tested in vitro for Thromboxane A2 receptor antagonism by inhibitin...	-
Rattus norvegicus	IC50	=	260.0	nM	6.58	Inhibitory activity against aggregation of rat washed platelets (induced by 4 ug...	2137879
Rattus norvegicus	IC50	=	260.0	nM	6.58	In vitro inhibitory concentration measured against collagen (4 uML) induced aggr...	1829486
Oryctolagus cuniculus	IC50	=	300.0	nM	6.52	Antagonist activity against contraction of rabbit aortic strips	1447736
Oryctolagus cuniculus	IC50	=	300.0	nM	6.52	In vitro inhibitory concentration measured against U-46,619 (1 uM) induced aggre...	1829486
Thromboxane A2 receptor	Ki	=	650.0	nM	6.19	Tested in vitro for inhibition constant against TXA2 / PGH-2 receptor using [125...	8487256
Thromboxane A2 receptor	Ki	=	1300.0	nM	5.89	Compound was tested for its binding affinity at Thromboxane A2 receptor by measu...	1388207
Thromboxane A2 receptor	Ki	=	1300.0	nM	5.89	Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig plate...	1388207
Unchecked	Ki	=	1300.0	nM	5.89	Tested for specific binding of radioligand [3H]U-46619 to thromboxane A2/prostag...	8496929
Unchecked	Ki	=	1300.0	nM	5.89	Inhibitory effect on the specific binding of [3H]-U-46,619 to guinea pig platele...	8093908
Oryctolagus cuniculus	IC50	=	1300.0	nM	5.89	Compound was tested for the inhibition U-46619 (3 x10 E -8 M) induced vascular c...	8464032
Oryctolagus cuniculus	IC50	=	1300.0	nM	5.89	Tested for the concentration that causes 50% relaxation when contraction in rabb...	2144025
Rattus norvegicus	IC50	=	1500.0	nM	5.82	Inhibition of U-46619 (3x10E-8 M) induced contraction in rat thoracic aorta	8464032
Thromboxane A2 receptor	IC50	=	1500.0	nM	5.82	Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 ...	-
Homo sapiens	IC50	=	1500.0	nM	5.82	Inhibitory activity against U-46,619-induced aggregation of washed human platele...	1447736
Rattus norvegicus	IC50	=	1800.0	nM	5.75	Inhibitory activity against rat thoracic aorta(induced by 30 nM of U-46619)	2137879
Rattus norvegicus	IC50	=	1800.0	nM	5.75	In vitro inhibitory concentration measured against U-46,619 (30 nM) induced cont...	1829486
Homo sapiens	IC50	=	4000.0	nM	5.4	Antagonist activity against U-46,619-induced aggregation of platelet rich plasma...	1447736
Oryctolagus cuniculus	IC50	=	7100.0	nM	5.15	Tested for the concentration that cause 50% inhibition of the maximum aggregatio...	2144025

Literature References

PubMed	DOI	Target Context	# Activities
1388207	10.1021/jm00096a016	Cavia porcellus	10
1388207	10.1021/jm00096a016	Thromboxane A2 receptor	6
1388207	10.1021/jm00096a016	Thromboxane-A synthase	4
8487256	10.1021/jm00061a008	Thromboxane A2 receptor	3
2966247	10.1021/jm00400a007	Cavia porcellus	3
1829486	10.1021/jm00110a020	Rattus norvegicus	2
8464032	10.1021/jm00059a001	Oryctolagus cuniculus	2
2137879	10.1021/jm00165a022	Rattus norvegicus	2
1447736	10.1021/jm00101a013	Homo sapiens	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
2144025	10.1021/jm00171a004	Oryctolagus cuniculus	2
1447736	10.1021/jm00101a013	Oryctolagus cuniculus	1
-	10.1016/S0960-894X(00)80043-8	Oryctolagus cuniculus	1
2144025	10.1021/jm00171a004	Unchecked	1
9341919	10.1021/jm9702793	Thromboxane A2 receptor	1
1447736	10.1021/jm00101a013	Unchecked	1
8496929	10.1021/jm00063a011	Unchecked	1
-	10.1016/0960-894X(95)00529-4	Thromboxane-A synthase	1
-	10.1016/0960-894X(95)00529-4	Thromboxane A2 receptor	1
8093908	10.1021/jm00055a013	Rattus norvegicus	1

Data from ChEMBL 36 via Core Engine