MILNACIPRAN

Search structure
Synonyms:
Status: Approved (2009)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N06AX17
UNII: G56VK1HF36

Structure
InChI Key GJJFMKBJSRMPLA-UHFFFAOYSA-N
Smile CCN(CC)C(=O)C1(c2ccccc2)CC1CN
InChI
InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H22N2O
Molecular Weight 246.35
AlogP 1.77
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 46.33
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Primary Target
NET
SERT
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 31623 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 22-3500 - 27 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 4 D003866 ClinicalTrials
Fibromyalgia 3 D005356 ClinicalTrials
Peripheral Nervous System Diseases 3 D010523 ClinicalTrials
Irritable Bowel Syndrome 2 D043183 ClinicalTrials
Neuralgia 2 D009437 ClinicalTrials
Low Back Pain 2 D017116 ClinicalTrials

Related Entries

MCS

Salt

Cross References

Resources Reference
CAS NUMBER 92623-85-3
ChEBI 135005
ChEMBL CHEMBL259209
DrugBank DB04896
DrugCentral 1808
FDA SRS G56VK1HF36
Guide to Pharmacology 7436
SureChEMBL SCHEMBL114034
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