Structure

InChI Key VCMGMSHEPQENPE-UHFFFAOYSA-N
Smile CNC1(c2ccccc2Cl)CCCCC1=O.Cl
InChI
InChI=1S/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H17Cl2NO
Molecular Weight 274.19
AlogP 2.9
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 29.1
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Action Mechanism of Action Reference
NEGATIVE ALLOSTERIC MODULATOR Glutamate [NMDA] receptor negative allosteric modulator PubMed PubMed PubMed DailyMed Wikipedia

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Opioid-Related Disorders 3 D009293 ClinicalTrials
Wounds and Injuries 3 D014947 ClinicalTrials
Depressive Disorder, Major 3 D003865 ClinicalTrials
Fractures, Bone 3 D050723 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Tinnitus 2 D014012 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
Cocaine-Related Disorders 2 D019970 ClinicalTrials
Aggression 2 D000374 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials
Pruritus 2 D011537 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials
Suicidal Ideation 2 D059020 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
Anorexia Nervosa 1 D000856 ClinicalTrials
Cognitive Dysfunction 1 D060825 ClinicalTrials
Persian Gulf Syndrome 0 D018923 ClinicalTrials
Alcoholism 0 D000437 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Renal and urinary disorders
17.51
Psychiatric disorders
16.38
Injury, poisoning and procedural complications
9.02
Nervous system disorders
8.11
General disorders and administration site conditions
6.89
Cardiac disorders
5.89
Respiratory, thoracic and mediastinal disorders
5.59
Hepatobiliary disorders
4.96
Investigations
4.36
Vascular disorders
4.31
Gastrointestinal disorders
3.13
Infections and infestations
2.77
Metabolism and nutrition disorders
2.19
Immune system disorders
2.08

Cross References

Resources Reference
ChEBI 650657
ChEMBL CHEMBL1714
EPA CompTox DTXSID4040137
FDA SRS O18YUO0I83
Guide to Pharmacology 4233
KEGG C07843
PubChem 15851
SureChEMBL SCHEMBL26999
ZINC ZINC36294079