Compound Detail

CHEMBL380352

CARACURINE V

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C1=C2CN3CC[C@]45c6ccccc6N6[C@@H]7OCC=C8CN9CC[C@]%10%11c%12ccccc%12N([C@H](OC1)[C@@H]([C@H]64)[C@H]2C[C@H]35)[C@H]%10[C@H]7[C@H]8C[C@H]9%11

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL380352
Name	CARACURINE V
Phase	Preclinical
Structure Type	MOL
InChI Key	CIRUUTNLDXXBKU-HCKBHOMASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

584.8

MW (Da)

4.27

ALogP

HBA

HBD

31.4

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

EC50 2 meas. best 6.36

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Muscarinic acetylcholine receptor M2 CHEMBL211	EC50	6.36	6.36	436.5	1
Muscarinic acetylcholine receptor M2 CHEMBL4781	EC50	6.36	6.36	436.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Muscarinic acetylcholine receptor M2	EC50	=	436.52	nM	6.36	Inhibition of [3H]NMS dissociation from muscarinic M2 receptor in Na,K,Pi buffer	16387499
Muscarinic acetylcholine receptor M2	EC50	=	436.0	nM	6.36	Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid...	25192059

PubMed	DOI	Target Context	# Activities
15214783	10.1021/jm0311341	Muscarinic acetylcholine receptor M2	2
16387499	10.1016/j.bmcl.2005.12.030	Muscarinic acetylcholine receptor M2	1
16387499	10.1016/j.bmcl.2005.12.030	Acetylcholine receptor	1
25192059	10.1021/np500259j	Muscarinic acetylcholine receptor M2	1
25192059	10.1021/np500259j	Unchecked	1

Data from ChEMBL 36 via Core Engine