SR-142948

Details

Stereochemistry	ACHIRAL
Molecular Formula	C39H51N5O6
Molecular Weight	685.8521
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=CC(OC)=C1C2=CC(=NN2C3=C(C=C(C=C3)C(=O)N(C)CCCN(C)C)C(C)C)C(=O)NC4(C5CC6CC(C5)CC4C6)C(O)=O

InChI

InChIKey=LWULHXVBLMWCHO-UHFFFAOYSA-N

InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)

HIDE SMILES / InChI

Molecular Formula	C39H51N5O6
Molecular Weight	685.8521
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Neurotensin receptor 1 2 Target ID: CHEMBL4123 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24611085\|https://www.ncbi.nlm.nih.gov/pubmed/24332089	Antagonist 2778		0.24 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:36:19 GMT 2023` Edited by `admin` on `Sat Dec 16 17:36:19 GMT 2023`
Record UNII	W59C8B2MZS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SR-142948

Code

English

TRICYCLO(3.3.1.13,7)DECANE-2-CARBOXYLIC ACID, 2-(((5-(2,6-DIMETHOXYPHENYL)-1-(4-(((3-(DIMETHYLAMINO)PROPYL)METHYLAMINO)CARBONYL)-2-(1-METHYLETHYL)PHENYL)-1H-PYRAZOL-3-YL)CARBONYL)AMINO)-

Systematic Name

English

SR142948

Code

English

2-(((5-(2,6-DIMETHOXYPHENYL)-1-(4-(((3-(DIMETHYLAMINO)PROPYL)METHYLAMINO)CARBONYL)-2-(1-METHYLETHYL)PHENYL)-1H-PYRAZOL-3-YL)CARBONYL)AMINO)TRICYCLO(3.3.1.13,7)DECANE-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

CAS

184162-64-9