Compound Detail

CHEMBL70

MORPHINE

💊 Approved Drug

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💊 Approved Drug

CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL70
Name	MORPHINE
Phase	Approved
Structure Type	MOL
InChI Key	BQJCRHHNABKAKU-KBQPJGBKSA-N
Therapeutic	✓ Yes

Known Names

Anhydrous morphine Hydromorphone hydrochloride impurity, morphine- IDS-NM-009 Morphia Morphine Morphine (anhydrous) Morphine anhydrous Morphine extended release Morphine polistirex Morphium N02AA01 Nepenthe +1 more

Targets

419

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

285.3

MW (Da)

1.20

ALogP

HBA

HBD

52.9

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	1984
Availability	Prescription
Chirality	Single Enantiomer

Routes of Administration

Oral Parenteral

Flags

Black Box Warning Natural Product

Extended Properties

Molecular Formula	C17H19NO3
MW	285.34
Aromatic Rings	1
Heavy Atoms	21
NP-Likeness	2.59

Indications

Pain Anemia, Sickle Cell Back Pain Cancer Pain Chronic Pain Dyspnea Kidney Calculi Leukemia Leukemia, Myeloid, Acute Myocardial Infarction Neonatal Abstinence Syndrome Neoplasms Neoplasms Obesity Opioid-Related Disorders Opioid-Related Disorders Pregnancy Prostatic Neoplasms, Castration-Resistant Pruritus Pulmonary Disease, Chronic Obstructive

ATC Classification

A07DA52

morphine, combinations

Level 1: ALIMENTARY TRACT AND METABOLISM

Level 2: ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS

N02AA01

morphine

Level 1: NERVOUS SYSTEM

Level 2: ANALGESICS

N02AA51

morphine, combinations

Level 1: NERVOUS SYSTEM

Level 2: ANALGESICS

Activity Summary

Ki 238 meas. best 10.05

IC50 102 meas. best 9.89

EC50 78 meas. best 8.52

Kd 1 meas. best 8.2

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mus musculus CHEMBL375	Ki	10.05	9.525	0.1	2
Cavia porcellus CHEMBL369	Ki	9.89	9.89	0.1	1
Cavia porcellus CHEMBL369	IC50	9.89	7.4638	0.1	13
Mu-type opioid receptor CHEMBL270	IC50	9.85	8.2486	0.1	7
Mu-type opioid receptor CHEMBL233	Ki	9.85	8.5881	0.1	37
Mu-type opioid receptor CHEMBL3041	Ki	9.3	8.9833	0.5	3
Mu-type opioid receptor CHEMBL233	IC50	9.24	7.9371	0.6	7
Mu-type opioid receptor CHEMBL270	Ki	9.11	8.3268	0.8	25
Mu-type opioid receptor CHEMBL4354	Ki	9.06	8.4556	0.9	25
Unchecked CHEMBL612545	IC50	9.0	8.13	1.0	2
Mu-type opioid receptor CHEMBL2858	IC50	8.9	7.3925	1.3	4
Delta-type opioid receptor CHEMBL269	Ki	8.74	7.2181	1.8	21
Mu-type opioid receptor CHEMBL2858	Ki	8.74	8.54	1.8	2
Kappa-type opioid receptor CHEMBL3952	IC50	8.74	6.6271	1.8	7
Unchecked CHEMBL612545	Ki	8.7	7.0308	2.0	13
Mu opioid receptor/Alpha-2A adrenergic receptor CHEMBL3883321	EC50	8.52	8.52	3.0	1
Opioid receptor CHEMBL2094129	EC50	8.52	8.52	3.0	2
Mu-type opioid receptor CHEMBL233	EC50	8.43	7.3856	3.7	34
Mu-type opioid receptor CHEMBL4354	IC50	8.4	7.1015	4.0	13
Opioid receptor CHEMBL2094129	IC50	8.38	7.653	4.2	10
Cavia porcellus CHEMBL369	Kd	8.2	8.2	6.3	1
Kappa-type opioid receptor CHEMBL237	Ki	8.16	7.1159	6.9	27
Delta-type opioid receptor CHEMBL269	IC50	8.13	6.71	7.4	5
Opioid receptors; mu/kappa/delta CHEMBL2095181	IC50	8.0	7.4167	10.0	6
Mu-type opioid receptor CHEMBL2858	EC50	7.92	6.973	12.0	10
Nociceptin receptor CHEMBL5492	Ki	7.86	7.86	13.9	1
Delta-type opioid receptor CHEMBL236	EC50	7.81	6.7086	15.6	7
Mu-type opioid receptor CHEMBL270	EC50	7.67	6.97	21.3	6
Unchecked CHEMBL612545	EC50	7.63	7.24	23.6	2
Kappa-type opioid receptor CHEMBL3952	Ki	7.62	6.8993	24.0	27
Opioid receptor CHEMBL2095192	IC50	7.57	7.08	27.0	2
Kappa-type opioid receptor CHEMBL3614	Ki	7.57	7.1567	27.0	3
Opioid receptor CHEMBL2094129	Ki	7.49	7.49	32.5	1
Cavia porcellus CHEMBL369	EC50	7.29	7.09	51.0	2
Delta-type opioid receptor CHEMBL236	Ki	7.29	6.6242	51.0	33
Kappa-type opioid receptor CHEMBL237	EC50	6.93	6.4438	118.5	8
Alpha-2A adrenergic receptor CHEMBL1867	Ki	6.85	6.85	141.0	1
Kappa-type opioid receptor CHEMBL4329	IC50	6.84	6.84	145.1	1
Delta-type opioid receptor CHEMBL236	IC50	6.82	6.55	150.0	4
Delta-type opioid receptor CHEMBL3222	IC50	6.81	6.268	155.0	5
Mu opioid receptor-like OR2 CHEMBL3611961	Ki	6.73	6.73	187.0	2
Mus musculus CHEMBL375	IC50	6.71	6.2471	194.0	7
Rattus norvegicus CHEMBL376	IC50	6.7	6.7	200.0	1
Opioid receptor homologue CHEMBL4105897	Ki	6.65	6.65	223.0	1
Kappa-type opioid receptor CHEMBL4329	Ki	6.52	6.165	301.0	2
Opioid receptors; mu & delta CHEMBL2095149	IC50	6.51	6.51	309.0	1
Kappa-type opioid receptor CHEMBL4329	EC50	6.4	6.4	400.0	1
Opioid receptor, delta 1b CHEMBL4105711	Ki	5.85	5.85	1427.0	1
Kappa-type opioid receptor CHEMBL237	IC50	5.77	5.77	1705.1	1
Mas-related G-protein coupled receptor member X2 CHEMBL5849	EC50	5.21	5.185	6165.9	4

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	375.79	ng.hr.mL-1	Rattus norvegicus
AUC	884.84	ng.hr.mL-1	Rattus norvegicus
CL	26.0	mL.min-1.kg-1	Homo sapiens
CL	50.0	mL.min-1.kg-1	Canis lupus familiaris
CL	73.0	mL.min-1.kg-1	Rattus norvegicus
CL	24.0	mL.min-1.kg-1	Homo sapiens
CL	26.0	mL.min-1.kg-1	Homo sapiens
CL	34.0	mL.min-1.kg-1	Macaca
Cmax	30.0	nM	Homo sapiens
Cmax	1050.0	nM	Homo sapiens
Cmax	250.0	nM	Homo sapiens
Cmax	40.0	nM	Homo sapiens
F	49.0	%	Homo sapiens
F	40.0	%	Homo sapiens
Fu	0.65	-	-
Fu	0.079	-	-
Fu	0.61	-	Homo sapiens
Fu	0.65	-	Homo sapiens
Fu	0.9	-	Rattus norvegicus
Fu	0.76	-	Rattus norvegicus
Ke	-	-	Cavia porcellus
Ke	-	-	Mus musculus
Ke	2.7	nM	-
Ke	4.2	nM	Mus musculus
Ke	88.0	-	-
Ke	20.5	nM	Cavia porcellus
Ke	5.06	nM	Cavia porcellus
Ke	53.5	nM	Mus musculus
Ke	3.29	nM	Mus musculus
Ke	7.35	nM	Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mus musculus	Ki	=	0.09	nM	10.05	Antinociceptive activity determined in vivo in tail flick assay in male Swiss mi...	8390575
Cavia porcellus	IC50	=	0.13	nM	9.89	Inhibitory activity of compound in guinea pig ileum tissue	2754695
Cavia porcellus	Ki	=	0.13	nM	9.89	Antinociceptive activity determined in vivo in tail flick assay in male Swiss mi...	8390575
Mu-type opioid receptor	IC50	=	0.14	nM	9.85	Inhibition of [3H]DAMGO radioligand binding to rat brain opioid receptor mu 1.	7739011
Mu-type opioid receptor	Ki	=	0.14	nM	9.85	Displacement of [3H]DAMGO from mu-opioid receptor expressed in CHOK1 cells after...	22680612
Mu-type opioid receptor	Ki	=	0.32	nM	9.49	Opioid Receptor Binding Assay: The Ki (binding affinity) for μ opioid receptors ...	-
Mu-type opioid receptor	Ki	=	0.32	nM	9.49	null: The Ki (binding affinity) for u opioid receptors was determined using a co...	-
Mu-type opioid receptor	Ki	=	0.5	nM	9.3	Binding affinity towards opioid receptor mu 1	1315868
Mu-type opioid receptor	Ki	=	0.53	nM	9.28	Binding affinity to human mu opioid receptor	26390077
Mu-type opioid receptor	IC50	=	0.57	nM	9.24	In vitro binding affinity against cloned human Opioid receptor mu 1 expressed in...	12502358
Mu-type opioid receptor	Ki	=	0.78	nM	9.11	mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin di...	12643945
Mu-type opioid receptor	Ki	=	0.88	nM	9.06	Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes usin...	11425545
Mu-type opioid receptor	Ki	=	0.88	nM	9.06	Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells ...	22439881
Mu-type opioid receptor	Ki	=	0.88	nM	9.06	Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain	19027293
Mu-type opioid receptor	Ki	=	0.88	nM	9.06	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells	16392810
Mu-type opioid receptor	Ki	=	0.88	nM	9.06	Binding affinity to displace radioligand [3H]DAMGO on Opioid receptor mu 1 in gu...	11000010
Mu-type opioid receptor	Ki	=	0.88	nM	9.06	Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovar...	15055988
Mu-type opioid receptor	Ki	=	0.9	nM	9.05	Activity was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opi...	8642554
Mu-type opioid receptor	Ki	=	1.0	nM	9.0	Inhibition of [3H]DAMGO binding to mu opioid receptor of rat brain membranes	12570383
Mus musculus	Ki	=	1.0	nM	9.0	Antinociceptive activity determined in vivo in tail flick assay in male Swiss mi...	8390575

Literature References

PubMed	DOI	Target Context	# Activities
8893832	10.1021/jm960073m	No relevant target	18
28377055	10.1016/j.bmcl.2017.03.067	Unchecked	15
22194678	10.1371/journal.pcbi.1002310	Hepatotoxicity	14
12699389	10.1021/jm021012t	ATP-dependent translocase ABCB1	13
31597043	10.1021/acs.jmedchem.9b01301	ADMET	12
25544687	10.1016/j.ejmech.2014.12.033	Rattus norvegicus	11
27035422	10.1021/acs.jmedchem.5b01976	Mus musculus	11
28288109	10.1038/nchembio.2334	Mas-related G-protein coupled receptor member X2	10
18193048	10.1038/nchembio.64	Mu opioid receptor/Alpha-2A adrenergic receptor	10
15509180	10.1021/jm049554t	Unchecked	9
37467430	10.1021/acs.jmedchem.3c00417	Mu-type opioid receptor	9
12620082	10.1021/jm021057u	Mus musculus	9
22680612	10.1021/jm300418d	Rattus norvegicus	8
15920768	10.1002/jps.20373	ADMET	8
30199635	10.1021/acs.jmedchem.8b01136	Mu-type opioid receptor	8
28051863	10.1021/acs.jmedchem.6b01285	Mus musculus	8
33479684	10.1039/d0md00104j	Mu-type opioid receptor	8
31597043	10.1021/acs.jmedchem.9b01301	Unchecked	8
30626554	10.1016/j.bmc.2019.01.003	Mus musculus	8
38810170	10.1021/acs.jmedchem.4c00333	Mu-type opioid receptor	8

Data from ChEMBL 36 via Core Engine