Compound Detail

CHEMBL20226

DELTORPHIN II

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CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL20226
Name	DELTORPHIN II
Phase	Preclinical
Structure Type	BOTH
InChI Key	NUNBRHVOPFWRRG-RCEFDBTISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

782.9

MW (Da)

-1.27

ALogP

HBA

HBD

301.2

PSA (Å²)

0.07

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

EC50 7 meas. best 8.75

Ki 2 meas. best 8.89

IC50 1 meas. best 9.43

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Delta-type opioid receptor CHEMBL3222	IC50	9.43	9.43	0.4	1
Delta-type opioid receptor CHEMBL236	Ki	8.89	8.89	1.3	1
Opioid receptors; mu and delta CHEMBL2221343	EC50	8.75	8.75	1.8	2
Opioid receptors; mu & delta CHEMBL2095149	EC50	8.1	7.615	8.0	2
Delta-type opioid receptor CHEMBL236	EC50	8.1	8.03	8.0	2
Mu-type opioid receptor CHEMBL270	Ki	6.3	6.3	500.0	1
Mu-type opioid receptor CHEMBL233	EC50	5.71	5.71	1939.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Delta-type opioid receptor	IC50	=	0.37	nM	9.43	Inhibition of delta opioid receptor in mouse vas deferens assessed as inhibition...	23623418
Delta-type opioid receptor	Ki	=	1.3	nM	8.89	Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN...	23623418
Opioid receptors; mu and delta	EC50	=	1.78	nM	8.75	Agonist activity at MOR/DOR in wild-type C57BL6 mouse spinal cord membranes asse...	33170687
Opioid receptors; mu and delta	EC50	=	1.778	nM	8.75	Agonist activity at MOR/DOR in wild-type C57BL6 mouse spinal cord membranes asse...	33170687
Delta-type opioid receptor	EC50	=	8.0	nM	8.1	Agonist activity at EA-fragment beta-arrestin-tagged human DOR expressed in huma...	33170687
Opioid receptors; mu & delta	EC50	=	8.0	nM	8.1	Agonist activity at EA-fragment beta-arrestin-tagged human MOR/DOR expressed in ...	33170687
Delta-type opioid receptor	EC50	=	11.0	nM	7.96	Agonist activity at EA-fragment beta-arrestin-tagged human DOR expressed in huma...	33170687
Opioid receptors; mu & delta	EC50	=	74.0	nM	7.13	Agonist activity at EA-fragment beta-arrestin-tagged human MOR/DOR expressed in ...	33170687
Mu-type opioid receptor	Ki	=	500.0	nM	6.3	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 ...	23623418
Mu-type opioid receptor	EC50	=	1939.0	nM	5.71	Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in huma...	33170687

PubMed	DOI	Target Context	# Activities
33170687	10.1021/acs.jmedchem.0c00901	Mu-type opioid receptor	4
33170687	10.1021/acs.jmedchem.0c00901	Opioid receptors; mu & delta	4
33170687	10.1021/acs.jmedchem.0c00901	Delta-type opioid receptor	3
23623418	10.1016/j.bmcl.2013.03.065	Mu-type opioid receptor	2
23623418	10.1016/j.bmcl.2013.03.065	Delta-type opioid receptor	2
33170687	10.1021/acs.jmedchem.0c00901	Opioid receptors; mu and delta	2
10871297	-	Solute carrier organic anion transporter family member 1A1	1
11159893	10.1053/gast.2001.21176	Solute carrier organic anion transporter family member 1B3	1
10871297	-	Solute carrier organic anion transporter family member 1A2	1
12351693	10.1210/me.2001-0309	Solute carrier organic anion transporter family member 1C1	1
10871297	-	Solute carrier organic anion transporter family member 1A4	1
11713643	10.1007/s004240100697	Solute carrier organic anion transporter family member 1A5	1
11713643	10.1007/s004240100697	Solute carrier organic anion transporter family member 1B2	1
26099536	10.1016/j.bmcl.2015.06.002	Trichomonas vaginalis	1

Data from ChEMBL 36 via Core Engine