LY-215,840

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H33N3O2
Molecular Weight	395.5377
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC3=CN(C(C)C)C4=C3C(=CC=C4)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@H]5CCC[C@H]5O

InChI

InChIKey=IMSDOBUYDTVEHN-ILMFXRJHSA-N

InChI=1S/C24H33N3O2/c1-14(2)27-13-15-11-21-18(17-6-4-8-20(27)23(15)17)10-16(12-26(21)3)24(29)25-19-7-5-9-22(19)28/h4,6,8,13-14,16,18-19,21-22,28H,5,7,9-12H2,1-3H3,(H,25,29)/t16-,18-,19+,21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H33N3O2
Molecular Weight	395.5377
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Serotonin 7 (5-HT7) receptor 31 Target ID: CHEMBL3155 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8667223	Antagonist 2778	14.7 nM [Ki]
Serotonin 2b (5-HT2b) receptor 60 Target ID: CHEMBL1833 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12603368\|https://www.ncbi.nlm.nih.gov/pubmed/12585687\|https://www.ncbi.nlm.nih.gov/pubmed/11275281	Antagonist 2778	1.89 nM [Ki]
Serotonin 2a (5-HT2a) receptor 231 Target ID: CHEMBL224 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8667223	Antagonist 2778	19.6 nM [Ki]
Serotonin 2c (5-HT2c) receptor 124 Target ID: CHEMBL225 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8667223	Antagonist 2778	4.26 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:57:18 GMT 2023` Edited by `admin` on `Sat Dec 16 16:57:18 GMT 2023`
Record UNII	D2G5U4P5B3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LY-215,840

Code

English

Ergoline-8-carboxamide, N-(2-hydroxycyclopentyl)-6-methyl-1-(1-methylethyl)-, [8β(1S,2R)]-

Systematic Name

English

LY-215840

Code

English

LY215840

Code

English

Ergoline-8-carboxamide, N-[(1S,2R)-2-hydroxycyclopentyl]-6-methyl-1-(1-methylethyl)-, (8β)-

Systematic Name

English

(8β)-N-[(1S,2R)-2-Hydroxycyclopentyl]-6-methyl-1-(1-methylethyl)ergoline-8-carboxamide

Systematic Name

English

Code System Code Type Description

CAS

137328-52-0