Compound Detail

CHEMBL74490

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COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(OC)c1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL74490
Phase	Preclinical
Structure Type	MOL
InChI Key	PJRWXHDCKWSIRU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

328.3

MW (Da)

3.19

ALogP

HBA

HBD

78.1

PSA (Å²)

0.79

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

PubMed	DOI	Target Context	# Activities
28458136	10.1016/j.ejmech.2017.04.054	Acetylcholinesterase	4
28458136	10.1016/j.ejmech.2017.04.054	No relevant target	3
25724825	10.1016/j.bmcl.2015.02.015	Acetylcholinesterase	2
25724825	10.1016/j.bmcl.2015.02.015	Cholinesterase	1
28458136	10.1016/j.ejmech.2017.04.054	Amyloid-beta precursor protein	1
28458136	10.1016/j.ejmech.2017.04.054	Unchecked	1
25614117	10.1016/j.bmc.2015.01.005	PC-12	1
25614117	10.1016/j.bmc.2015.01.005	No relevant target	1
25614117	10.1016/j.bmc.2015.01.005	Unchecked	1
25614117	10.1016/j.bmc.2015.01.005	Acetylcholinesterase	1
9632366	10.1021/jm970842h	Panel NCI-60 (60 carcinoma cell lines)	1
25724825	10.1016/j.bmcl.2015.02.015	Amyloid-beta precursor protein	1
25724825	10.1016/j.bmcl.2015.02.015	No relevant target	1
469554	10.1021/np50001a002	CA-755	1
469554	10.1021/np50001a002	L1210	1
469554	10.1021/np50001a002	CCRF S-180	1
469554	10.1021/np50001a002	KB	1

Data from ChEMBL 36 via Core Engine