Compound Detail

CHEMBL377725

SOPHOCARPINE

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O=C1C=CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL377725
Name	SOPHOCARPINE
Phase	Preclinical
Structure Type	MOL
InChI Key	AAGFPTSOPGCENQ-JLNYLFASSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

246.3

MW (Da)

1.65

ALogP

HBA

HBD

23.6

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

PubMed	DOI	Target Context	# Activities
26189894	10.1016/j.bmcl.2015.06.097	Mus musculus	6
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
16364643	10.1016/j.bmcl.2005.11.073	Hepatitis B virus	4
21036613	10.1016/j.bmcl.2010.09.075	RAW264.7	3
33454546	10.1016/j.ejmech.2021.113165	RAW264.7	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
26865176	10.1016/j.bmcl.2015.09.010	NON-PROTEIN TARGET	1
32603982	10.1016/j.ejmech.2020.112315	HepG2	1
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
26865176	10.1016/j.bmcl.2015.09.010	A549	1
26865176	10.1016/j.bmcl.2015.09.010	MCF7	1
26865176	10.1016/j.bmcl.2015.09.010	MDA-MB-231	1
26865176	10.1016/j.bmcl.2015.09.010	KB	1
26189894	10.1016/j.bmcl.2015.06.097	Enterovirus A71	1
26132528	10.1021/acs.jnatprod.5b00325	Influenza A virus	1
26132528	10.1021/acs.jnatprod.5b00325	Coxsackievirus B3	1
21218816	10.1021/jm101325h	HepG2 2.2.15	1
21036613	10.1016/j.bmcl.2010.09.075	Unchecked	1
16364643	10.1016/j.bmcl.2005.11.073	HepG2	1

Data from ChEMBL 36 via Core Engine