Compound Detail

CHEMBL228120

DIHYDROPINOSYLVIN

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Oc1cc(O)cc(CCc2ccccc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL228120
Name	DIHYDROPINOSYLVIN
Phase	Preclinical
Structure Type	MOL
InChI Key	LDBYHULIXFIJAZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

214.3

MW (Da)

2.88

ALogP

HBA

HBD

40.5

PSA (Å²)

0.82

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 2 meas. best 5.83

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Ileum CHEMBL613680	IC50	5.83	5.83	1490.0	1
Unchecked CHEMBL612545	IC50	4.44	4.44	36600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Ileum	IC50	=	1490.0	nM	5.83	Spasmolytic activity in guinea pig ileum assessed as inhibition of spontaneous c...	14987052
Unchecked	IC50	=	36600.0	nM	4.44	Inhibition of bovine brain CaM-dependent PDE assessed as inorganic phosphate rel...	14987052

PubMed	DOI	Target Context	# Activities
37852423	10.1016/j.bmcl.2023.129527	RAW264.7	4
14987052	10.1021/np030303h	Ileum	3
15679323	10.1021/np0497043	Unchecked	2
21353549	10.1016/j.bmcl.2011.02.003	C6	2
22189272	10.1016/j.bmc.2011.11.030	B16-F10	2
17480099	10.1021/np070010e	Prostaglandin G/H synthase 1	1
17480099	10.1021/np070010e	Mycobacterium tuberculosis	1
17480099	10.1021/np070010e	Plasmodium falciparum	1
17480099	10.1021/np070010e	Candida albicans	1
17480099	10.1021/np070010e	Prostaglandin G/H synthase 2	1
17480099	10.1021/np070010e	KB	1
17480099	10.1021/np070010e	ADMET	1
14987052	10.1021/np030303h	Unchecked	1
14987052	10.1021/np030303h	Calmodulin	1

Data from ChEMBL 36 via Core Engine