Compound Detail

CHEMBL504459

NOGALAMYCIN

🧪 Phase II

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🧪 Phase II

COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC)[C@@](C)(OC)[C@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL504459
Name	NOGALAMYCIN
Phase	Phase II
Structure Type	MOL
InChI Key	KGTDRFCXGRULNK-JYOBTZKQSA-N

Known Names

ANTIBIOTIC 205T3 Nogalamicina Nogalamycin Nogalamycine NSC-70845 U 15167 U-15167

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

787.8

MW (Da)

1.14

ALogP

HBA

HBD

229.4

PSA (Å²)

0.21

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Flags

Natural Product

USAN Stem	-mycin
USAN Year	1965

Extended Properties

Molecular Formula	C39H49NO16
MW	787.81
Aromatic Rings	2
Heavy Atoms	56
NP-Likeness	2.31

Activity Summary

IC50 2 meas. best 7.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NS3 CHEMBL1293269	IC50	7.0	7.0	100.0	1
CCRF-CEM CHEMBL382	IC50	4.23	4.23	59000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NS3	IC50	=	100.0	nM	7.0	Inhibitory concentration against hepatitis C virus helicase	15633995
CCRF-CEM	IC50	=	59000.0	nM	4.23	Cytotoxicity in human leukemic CCRF-CEM cells.	14667232

Literature References

PubMed	DOI	Target Context	# Activities
541685	10.1021/np50006a002	L1210	7
14667232	10.1021/jm030253d	CCRF-CEM	1
15633995	10.1021/jm0400101	NS3	1
541685	10.1021/np50006a002	P388	1
541685	10.1021/np50006a002	B16	1

Data from ChEMBL 36 via Core Engine