Scroll

alpha-Ergocryptine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
ergot alkaloid derivatives	885	511-09-1

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: alpha ergocryptine ergocryptine ergokryptine alpha-Ergocryptine alpha-Ergokryptine	a component of the ergotoxine complex; it is the main ergot alkaloid of Japanese & South American wid grasses; minor descriptor (76-86); on-line & INDEX MEDICUS search ERGOLINES (76-86); RN given refers to ((5'alpha)-isomer) Molecular weight: 575.71 Formula: C32H41N5O5 CLOGP: 5.50 LIPINSKI: 2 HAC: 10 HDO: 3 TPSA: 118.21 ALOGS: -3.26 ROTB: 5

Molecule

Description

Molfile Inchi Smiles

Synonyms:

alpha ergocryptine
ergocryptine
ergokryptine
alpha-Ergocryptine
alpha-Ergokryptine

a component of the ergotoxine complex; it is the main ergot alkaloid of Japanese & South American wid grasses; minor descriptor (76-86); on-line & INDEX MEDICUS search ERGOLINES (76-86); RN given refers to ((5'alpha)-isomer)

Molecular weight: 575.71
Formula: C32H41N5O5
CLOGP: 5.50
LIPINSKI: 2
HAC: 10
HDO: 3
TPSA: 118.21
ALOGS: -3.26
ROTB: 5

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
MeSH PA	D015259	Dopamine Agents
MeSH PA	D018491	Dopamine Agonists
MeSH PA	D018377	Neurotransmitter Agents

Drug Use | Suggest Off label Use Form| |View source of the data|

None

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	12.4	acidic
pKa2	13.08	acidic
pKa3	6.51	Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Type	Activity value (-log[M])	Bioact source
Mu-type opioid receptor	GPCR	P35372	OPRM_HUMAN	Ki	6.01	DRUG MATRIX
D(1A) dopamine receptor	GPCR	P21728	DRD1_HUMAN	Ki	6.70	DRUG MATRIX
D(2) dopamine receptor	GPCR	P14416	DRD2_HUMAN	Ki	9.19	DRUG MATRIX
Alpha-2A adrenergic receptor	GPCR	P08913	ADA2A_HUMAN	Ki	8.53	DRUG MATRIX
Cytochrome P450 3A4	Enzyme	P08684	CP3A4_HUMAN	IC50	6.22	DRUG MATRIX
5-hydroxytryptamine receptor 1A	GPCR	P08908	5HT1A_HUMAN	Ki	8.82	DRUG MATRIX
5-hydroxytryptamine receptor 2A	GPCR	P28223	5HT2A_HUMAN	Ki	7.85	DRUG MATRIX
5-hydroxytryptamine receptor 2B	GPCR	P41595	5HT2B_HUMAN	Ki	8.09	DRUG MATRIX
5-hydroxytryptamine receptor 2C	GPCR	P28335	5HT2C_HUMAN	Ki	7.11	DRUG MATRIX
5-hydroxytryptamine receptor 6	GPCR	P50406	5HT6R_HUMAN	Ki	8.12	DRUG MATRIX
Alpha-2B adrenergic receptor	GPCR	P18089	ADA2B_HUMAN	Ki	7.92	DRUG MATRIX
D(3) dopamine receptor	GPCR	P35462	DRD3_HUMAN	Ki	9.70	DRUG MATRIX
Beta-3 adrenergic receptor	GPCR	P13945	ADRB3_HUMAN	Ki	5.73	DRUG MATRIX
Alpha-2C adrenergic receptor	GPCR	P18825	ADA2C_HUMAN	Ki	8.26	DRUG MATRIX
Alpha-1D adrenergic receptor	GPCR	P25100	ADA1D_HUMAN	Ki	8.37	DRUG MATRIX
Cytochrome P450 2C9	Enzyme	P11712	CP2C9_HUMAN	IC50	5.22	DRUG MATRIX
Alpha-1B adrenergic receptor	GPCR		ADA1B_RAT	Ki	8.10	DRUG MATRIX
5-hydroxytryptamine receptor 1B	GPCR		5HT1B_RAT	Ki	8.30	DRUG MATRIX
Alpha-1A adrenergic receptor	GPCR		ADA1A_RAT	IC50	7.96	CHEMBL
5-hydroxytryptamine receptor 1A	GPCR		5HT1A_RAT	IC50	8.58	CHEMBL

External reference:

ID	Source
C0102544	UMLSCUI
CHEBI:10276	CHEBI
CHEMBL1403281	ChEMBL_ID
C100269	MESH_SUPPLEMENTAL_RECORD_UI
134551	PUBCHEM_CID
60972B4V0Y	UNII
6WFB60157B	UNII
AH6LF5DVAK	UNII
OWA753099R	UNII

Pharmaceutical products:

None