PF-5212377

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Investigational

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H20N4O2S
Molecular Weight	356.442
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PF-5212377

Structure Search

SMILES

CC1=NC2=C(C=CC=C2N1S(=O)(=O)C3=CC=CC=C3)N4CCNCC4

InChI

InChIKey=MAYQIFVKVAUMPD-UHFFFAOYSA-N

InChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3

HIDE SMILES / InChI

Molecular Formula	C18H20N4O2S
Molecular Weight	356.442
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Thu Jul 06 17:42:09 UTC 2023` Edited by `admin` on `Thu Jul 06 17:42:09 UTC 2023`
Record UNII	4JEH3BL51N
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PF-5212377

Code

English

1H-BENZIMIDAZOLE, 2-METHYL-1-(PHENYLSULFONYL)-4-(1-PIPERAZINYL)-

Systematic Name

English

PF-05212377

Code

English

Code System Code Type Description

CAS

1226793-34-5

Created by admin on Thu Jul 06 17:42:09 UTC 2023 , Edited by admin on Thu Jul 06 17:42:09 UTC 2023

PRIMARY

ChEMBL

CHEMBL3545344

Created by admin on Thu Jul 06 17:42:09 UTC 2023 , Edited by admin on Thu Jul 06 17:42:09 UTC 2023

PRIMARY

PUBCHEM

46203710

Created by admin on Thu Jul 06 17:42:09 UTC 2023 , Edited by admin on Thu Jul 06 17:42:09 UTC 2023

PRIMARY

SMS_ID

300000041347

Created by admin on Thu Jul 06 17:42:09 UTC 2023 , Edited by admin on Thu Jul 06 17:42:09 UTC 2023

PRIMARY

FDA UNII

4JEH3BL51N

Created by admin on Thu Jul 06 17:42:09 UTC 2023 , Edited by admin on Thu Jul 06 17:42:09 UTC 2023

PRIMARY

Related Record Type Details


					081I12ZA58

CYTOCHROME P450 2C19

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


					805SU96HKF

CYTOCHROME P450 3A5

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					Z3LSI83ND8

5-HYDROXYTRYPTAMINE RECEPTOR 6

TARGET -> INHIBITOR

Comments:

Full antagonist SAM-760 completed phase I trials with no adverse effects at doses of up to 50 mg daily. Pfizer terminated a phase II trial after SAM-760 30 mg/day failed to produce an improvement in cognition in patients already taking a stable dose of donepezil.

Amount:

Related Record Type Details


					RV1F2J84NM

1-(BENZENESULFONYL)-2-METHYL-BENZIMIDAZOL-4-AMINE

METABOLITE -> PARENT


					G9560D97PI

BENZENESULFINIC ACID

METABOLITE INACTIVE -> PARENT

Amount:


					XRP42EXQ0K

2-((1-(BENZENESULFONYL)-2-METHYL-BENZIMIDAZOL-4-YL)AMINO)ACETIC ACID

METABOLITE -> PARENT


					KSH4SG1309

2-(2-((1-(BENZENESULFONYL)-2-METHYL-BENZIMIDAZOL-4-YL)AMINO)ETHYLAMINO)ACETIC ACID

METABOLITE -> PARENT


					W6L9B33Q36

4-(1-(BENZENESULFONYL)-2-METHYL-BENZIMIDAZOL-4-YL)PIPERAZINE-1-SULFONIC ACID

METABOLITE -> PARENT


					1L5A4571FX

(2S,3S,4S,5R,6S)-6-(4-(1-(BENZENESULFONYL)-2-METHYL-BENZIMIDAZOL-4-YL)PIPERAZIN-1-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

METABOLITE -> PARENT


					V5CT4E4A34

N-(2-((1-(BENZENESULFONYL)-2-METHYL-BENZIMIDAZOL-4-YL)AMINO)ETHYL)ACETAMIDE

METABOLITE -> PARENT


					EL6PFC8U8V

1-(BENZENESULFONYL)-4-(4-HYDROXYPIPERAZIN-1-YL)-2-METHYL-BENZIMIDAZOLE

METABOLITE -> PARENT


					NT610XL1FL

2-(2-AMINOETHYL-(1-(BENZENESULFONYL)-2-METHYL-BENZIMIDAZOL-4-YL)AMINO)ACETIC ACID

METABOLITE -> PARENT

Related Record Type Details


					4JEH3BL51N

SAM-760

ACTIVE MOIETY