Compound Detail

CHEMBL510507

RENIERAMYCIN N

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C/C=C(/C)C(=O)OC[C@H]1C2=C(C[C@H]3[C@H]4c5c(O)c(OC)c(C)c(O)c5[C@H](O)[C@@H]([C@H](C#N)N13)N4C)C(=O)C(C)=C(OC)C2=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL510507
Name	RENIERAMYCIN N
Phase	Preclinical
Structure Type	MOL
InChI Key	CYRXLYVOHCLIMN-TVNZNNQYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

593.6

MW (Da)

2.03

ALogP

HBA

HBD

169.9

PSA (Å²)

0.20

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 6 meas. best 8.25

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
HCT-116 CHEMBL394	IC50	8.25	8.25	5.6	2
DLD-1 CHEMBL614285	IC50	8.24	8.24	5.7	1
NCI-H460 CHEMBL396	IC50	8.17	8.17	6.7	1
QG-56 CHEMBL612268	IC50	7.96	7.96	11.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
HCT-116	IC50	=	5.6	nM	8.25	Cytotoxicity against human HCT116 cells after 4 days	15217287
HCT-116	IC50	=	5.6	nM	8.25	Cytotoxicity against human HCT116 cells after 4 days	14640515
DLD-1	IC50	=	5.7	nM	8.24	Cytotoxicity against human DLD1 cells after 4 days	14640515
NCI-H460	IC50	=	6.7	nM	8.17	Cytotoxicity against human NCI-H460 cells after 4 days	14640515
QG-56	IC50	=	11.0	nM	7.96	Cytotoxicity against human QG56 cells after 4 days	15217287
QG-56	IC50	=	11.0	nM	7.96	Cytotoxicity against human QG56 cells after 4 days	14640515

PubMed	DOI	Target Context	# Activities
15217287	10.1021/np030534o	HCT-116	1
15217287	10.1021/np030534o	QG-56	1
14640515	10.1021/np030262p	HCT-116	1
14640515	10.1021/np030262p	QG-56	1
14640515	10.1021/np030262p	NCI-H460	1
14640515	10.1021/np030262p	DLD-1	1

Data from ChEMBL 36 via Core Engine