Compound Detail

CHEMBL1797231

CHAETOMUGILIN R

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C[C@H](O)[C@@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@@H](O)[C@@H]2CO1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1797231
Name	CHAETOMUGILIN R
Phase	Preclinical
Structure Type	MOL
InChI Key	HYQLBUHERBRGKE-HKOMCDGQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

328.8

MW (Da)

1.28

ALogP

HBA

HBD

87.0

PSA (Å²)

0.73

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 4 meas. best 10.49

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
P388 CHEMBL389	IC50	10.49	10.49	0.0	1
HL-60 CHEMBL383	IC50	10.29	10.29	0.1	1
L1210 CHEMBL386	IC50	10.17	10.17	0.1	1
KB CHEMBL398	IC50	10.17	10.17	0.1	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
P388	IC50	=	0.032	nM	10.49	Cytotoxicity against mouse P388 cells after 72 hrs by MTT assay	21640594
HL-60	IC50	=	0.0518	nM	10.29	Cytotoxicity against human HL60 cells after 72 hrs by MTT assay	21640594
L1210	IC50	=	0.0671	nM	10.17	Cytotoxicity against mouse L1210 cells after 72 hrs by MTT assay	21640594
KB	IC50	=	0.0671	nM	10.17	Cytotoxicity against human KB cells after 72 hrs by MTT assay	21640594

PubMed	DOI	Target Context	# Activities
21640594	10.1016/j.bmc.2011.05.008	P388	1
21640594	10.1016/j.bmc.2011.05.008	HL-60	1
21640594	10.1016/j.bmc.2011.05.008	L1210	1
21640594	10.1016/j.bmc.2011.05.008	KB	1

Data from ChEMBL 36 via Core Engine