Compound Detail

CHEMBL525803

CHLOROPEPTIN

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CN1C(=O)[C@@H](c2cc(Cl)c(O)c(Cl)c2)NC(=O)[C@@H]2NC(=O)[C@@H](c3cc(Cl)c(O)c(Cl)c3)NC(=O)[C@H](NC(=O)C(=O)c3cc(Cl)c(O)c(Cl)c3)Cc3c[nH]c4c(cccc34)-c3cc2cc(c3O)Oc2ccc(cc2)C[C@H]1C(=O)N[C@@H](C(=O)O)c1ccc(O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL525803
Name	CHLOROPEPTIN
Phase	Preclinical
Structure Type	MOL
InChI Key	FRRCHJPQSWYJSH-OZICGBTHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1328.8

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C61H45Cl6N7O15
MW	1328.78

Activity Summary

IC50 8 meas. best 8.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	8.0	6.155	10.0	4
T-cell surface glycoprotein CD4 CHEMBL2754	IC50	6.89	6.89	130.0	1
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI CHEMBL3994	IC50	6.52	6.52	300.0	1
Human immunodeficiency virus type 1 integrase CHEMBL3471	IC50	6.4	5.85	400.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	10.0	nM	8.0	Inhibition of CD28-CD80 interaction in the absence of fetal bovine serum (FBS)	12565974
T-cell surface glycoprotein CD4	IC50	=	130.0	nM	6.89	Inhibitory concentration against CD4-gp120 binding in the absence of fetal bovin...	12565974
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI	IC50	=	300.0	nM	6.52	Inhibition of Staphylococcus aureus ATCC 29213 FabI in the presence of NADH usin...	32883635
Unchecked	IC50	=	380.0	nM	6.42	Inhibition of CD28-CD80 interaction in the presence of fetal bovine serum (FBS)	12565974
Human immunodeficiency virus type 1 integrase	IC50	=	400.0	nM	6.4	Inhibition of HIV1 integrase 3' processing/strand transfer coupled activity	11473415
Unchecked	IC50	=	2000.0	nM	5.7	Compound required to inhibit binding of CD4 to gp120 in the presence of bovine s...	15026053
Human immunodeficiency virus type 1 integrase	IC50	=	5000.0	nM	5.3	Inhibition of HIV1 integrase strand transfer activity	11473415
Unchecked	IC50	=	32000.0	nM	4.5	Compound required to inhibit binding of CD4 to gp120 in the absence of bovine se...	15026053

Literature References

PubMed	DOI	Target Context	# Activities
12565974	10.1016/s0960-894x(02)00919-8	Unchecked	2
15026053	10.1016/j.bmcl.2004.01.056	Unchecked	2
11473415	10.1021/np000632z	Human immunodeficiency virus type 1 integrase	2
12565974	10.1016/s0960-894x(02)00919-8	T-cell surface glycoprotein CD4	1
11473415	10.1021/np000632z	Human immunodeficiency virus 1	1
19786602	10.1128/aac.00670-09	Unchecked	1
32883635	10.1016/j.ejmech.2020.112757	Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI	1
32883635	10.1016/j.ejmech.2020.112757	Staphylococcus aureus	1

Data from ChEMBL 36 via Core Engine