Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL13817

IBUTAMOREN
🧪 Phase II
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase II
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL13817
Name IBUTAMOREN
Phase Phase II
Structure Type MOL
InChI Key UMUPQWIGCOZEOY-JOCHJYFZSA-N

Known Names

Ibutamoren Ibutamoreno L-163,191
5
Targets
29
Activities
4
Assay Types
3
PK Parameters
20
Publications
3
Known Names
1
Indications

Molecular Properties

528.7
MW (Da)
1.77
ALogP
6
HBA
2
HBD
122.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -moren
USAN Year 1997

Extended Properties

Molecular Formula C27H36N4O5S
MW 528.68
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.75

Indications

Aging

Activity Summary

EC50 16 meas. best 9.7
IC50 9 meas. best 9.4
Kd 3 meas. best 9.85
Ki 1 meas. best 9.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Growth hormone secretagogue receptor type 1
CHEMBL4616
 Kd 9.85 9.85 0.1 1
ADMET
CHEMBL612558
 Kd 9.79 9.79 0.2 1
Rattus norvegicus
CHEMBL376
 Kd 9.77 9.77 0.2 1
Growth hormone secretagogue receptor type 1
CHEMBL4616
 EC50 9.7 9.185 0.2 6
Growth hormone secretagogue receptor type 1
CHEMBL4616
 Ki 9.62 9.62 0.2 1
Growth hormone secretagogue receptor type 1
CHEMBL4616
 IC50 9.4 8.5538 0.4 8
Rattus norvegicus
CHEMBL376
 EC50 9.22 8.9633 0.6 6
Growth hormone secretagogue receptor type 1
CHEMBL3278
 EC50 8.89 8.89 1.3 1
Unchecked
CHEMBL612545
 EC50 8.89 8.8667 1.3 3
Rattus norvegicus
CHEMBL376
 IC50 5.89 5.89 1300.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 14.45 uL.min-1.(10^6cells)-1 Homo sapiens
F 60.0 % Canis lupus familiaris
T1/2 4.7 hr Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Growth hormone secretagogue receptor type 1 Kd = 0.14 nM 9.85 Compound was evaluated for binding affinity using [35S]MK-0677 (800-1100 Ci/mmol... 9703459
ADMET Kd = 0.161 nM 9.79 Dissociation constant was evaluated which is similar to Ki (inhibitory constant) 8627599
Rattus norvegicus Kd = 0.17 nM 9.77 Compound was evaluated for binding affinity, which binds with high affinity to m... 9703459
Growth hormone secretagogue receptor type 1 EC50 = 0.1995 nM 9.7 Agonist activity at GHSR (unknown origin) 23281966
Growth hormone secretagogue receptor type 1 Ki = 0.24 nM 9.62 Binding Affinity against Growth hormone secretagogue receptor of swine using [35... 8627599
Growth hormone secretagogue receptor type 1 EC50 = 0.4 nM 9.4 Agonist activity at human GHS receptor assessed as intracellular myo-IP1 secreti... 29909635
Growth hormone secretagogue receptor type 1 IC50 = 0.4 nM 9.4 Inhibition against human growth hormone secretagogue (GHS) receptor 14761190
Growth hormone secretagogue receptor type 1 EC50 = 0.3981 nM 9.4 Agonist activity at human GHS receptor assessed as intracellular myo-IP1 secreti... 29909635
Growth hormone secretagogue receptor type 1 IC50 = 0.51 nM 9.29 Ability to displace [125I]ghrelin from cloned human Growth hormone secretagogue ... 12477342
Rattus norvegicus EC50 = 0.6 nM 9.22 Concentration required for GH release from isolated pituitary cells of rat teste... 11459660
Growth hormone secretagogue receptor type 1 IC50 = 0.63 nM 9.2 Binding affinity towards human Growth hormone secretagogue receptor type 1 using... 11459669
Growth hormone secretagogue receptor type 1 IC50 = 0.76 nM 9.12 Binding affinity towards cloned human Growth hormone secretagogue receptor type ... 12646029
Rattus norvegicus EC50 = 1.0 nM 9.0 Effective concentration for their ability to release growth hormone in the rat p... 12729672
Unchecked EC50 = 1.3 nM 8.89 Stimulation of growth hormone secretion in rat pituitary cells 35344905
Growth hormone secretagogue receptor type 1 EC50 = 1.3 nM 8.89 In vitro growth hormone release was determined in rat pituitary cell assay 9925440
Rattus norvegicus EC50 = 1.3 nM 8.89 Effective concentration for ability to release growth hormone from rat pituitary... 11708912
Rattus norvegicus EC50 = 1.3 nM 8.89 Effective Concentration for GH secretion from rat pituitary cell was determined 8627599
Rattus norvegicus EC50 = 1.3 nM 8.89 In Vitro evaluation for growth hormone release from the pituitary incubates 9703459
Growth hormone secretagogue receptor type 1 EC50 = 1.3 nM 8.89 Agonist activity at human GHS-R1 17329109
Rattus norvegicus EC50 = 1.3 nM 8.89 In vitro growth hormone releasing activity was measured in rat pituitary cells 11741481

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
29909635 10.1021/acs.jmedchem.8b00322 Growth hormone secretagogue receptor type 1 5
9703459 10.1021/jm970342o Canis familiaris 5
- 10.6019/CHEMBL3301361 ADMET 4
12646029 10.1021/jm020985q Growth hormone secretagogue receptor type 1 3
9703459 10.1021/jm970342o Rattus norvegicus 3
17329109 10.1016/j.bmc.2007.01.057 Growth hormone secretagogue receptor type 1 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
11459669 10.1016/s0960-894x(01)00324-9 Growth hormone secretagogue receptor type 1 2
11459660 10.1016/s0960-894x(01)00345-6 Sus scrofa 2
11459660 10.1016/s0960-894x(01)00345-6 Rattus norvegicus 2
10636230 10.1016/s0960-894x(99)00584-3 Rattus norvegicus 1
12729672 10.1016/s0960-894x(03)00261-0 Rattus norvegicus 1
9703459 10.1021/jm970342o Growth hormone secretagogue receptor type 1 1
9703459 10.1021/jm970342o Unchecked 1
35344905 10.1016/j.ejmech.2022.114308 Growth hormone secretagogue receptor type 1 1
12477342 10.1021/jm020424z Growth hormone secretagogue receptor type 1 1
8627599 10.1021/jm960054c ADMET 1

Data from ChEMBL 36 via Core Engine