METHYLERGONOVINE MALEATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1946)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: IR84JPZ1RK

Structure
InChI Key NOFOWWRHEPHDCY-DAUURJMHSA-N
Smile CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C20H25N3O2.C4H4O4/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13;5-3(6)1-2-4(7)8/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14+,18-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29N3O6
Molecular Weight 455.51
AlogP 1.92
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 68.36
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Dopamine D1 receptor antagonist PubMed PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
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Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
14.95
Nervous system disorders
10.9
Injury, poisoning and procedural complications
10.44
Respiratory, thoracic and mediastinal disorders
8.02
Pregnancy, puerperium and perinatal conditions
7.94
General disorders and administration site conditions
7.71
Cardiac disorders
6.62
Investigations
6.46
Psychiatric disorders
4.6
Reproductive system and breast disorders
3.27
Blood and lymphatic system disorders
2.34
Gastrointestinal disorders
2.34
Surgical and medical procedures
2.34
Infections and infestations
2.02

Cross References

Resources Reference
ChEBI 6874
ChEMBL CHEMBL1200843
FDA SRS IR84JPZ1RK
Guide to Pharmacology 150
KEGG D08207
PubChem 5281072
SureChEMBL SCHEMBL239437
ZINC ZINC39949130
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