SAPANISERTIB

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H15N7O
Molecular Weight	309.3259
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SAPANISERTIB

Structure Search

SMILES

CC(C)N1N=C(C2=C1N=CN=C2N)C3=CC=C4OC(N)=NC4=C3

InChI

InChIKey=GYLDXIAOMVERTK-UHFFFAOYSA-N

InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)

HIDE SMILES / InChI

Molecular Formula	C15H15N7O
Molecular Weight	309.3259
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 `Sat Dec 16 01:31:11 UTC 2023` Edited by `admin` on `Sat Dec 16 01:31:11 UTC 2023`
Record UNII	JGH0DF1U03
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SAPANISERTIB

Official Name

English

INK-128

Code

English

TAK-228

Code

English

INK128

Code

English

Sapanisertib [WHO-DD]

Common Name

English

sapanisertib [INN]

Common Name

English

CB-228

Code

English

MLN-0128

Code

English

1H-PYRAZOLO(3,4-D)PYRIMIDIN-4-AMINE, 3-(2-AMINO-5-BENZOXAZOLYL)-1-(1-METHYLETHYL)-

Systematic Name

English

MLN0128

Code

English

SAPANISERTIB [USAN]

Common Name

English

3-(2-Amino-1,3-benzoxazol-5-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2201

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID40102253

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

PRIMARY

CAS

1224844-38-5

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

PRIMARY

NCI_THESAURUS

C90548

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

PRIMARY

PUBCHEM

45375953

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

PRIMARY

DAILYMED

JGH0DF1U03

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

PRIMARY

WIKIPEDIA

Sapanisertib

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

PRIMARY

USAN

DE-78

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

PRIMARY

RXCUI

2395271

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

PRIMARY

ChEMBL

CHEMBL3545097

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

PRIMARY

INN

10034

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

PRIMARY

SMS_ID

100000165992

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

PRIMARY

ChEMBL

CHEMBL3545056

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

PRIMARY

EVMPD

SUB179941

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

PRIMARY

FDA UNII

JGH0DF1U03

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

PRIMARY

DRUG BANK

DB11836

Created by admin on Sat Dec 16 01:31:11 UTC 2023 , Edited by admin on Sat Dec 16 01:31:11 UTC 2023

PRIMARY

Related Record Type Details


					SB2601C5MF

SAPANISERTIB DIMESYLATE

SALT/SOLVATE -> PARENT

Amount:


					9T2Z08R92D

SAPANISERTIB HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:


					1788PW098Q

SERINE/THREONINE-PROTEIN KINASE MTOR

TARGET -> INHIBITOR

Comments:

mTOR ATP site inhibitor; inhibits both mtorc1 and mtorc2 complexes.

Interaction Type:

COMPETITIVE INHIBITOR

Qualification:

Ki

Amount:


					1OHI4ZB7S1

MAMMALIAN TARGET OF RAPAMYCIN COMPLEX 1

TARGET -> INHIBITOR

Comments:

ATP competitive inhibitor

Amount:


					MIF1PZF1OC

MAMMALIAN TARGET OF RAPAMYCIN COMPLEX 2

TARGET -> INHIBITOR

Comments:

ATP competitive inhibitor

Amount:

Related Record Type Details


					JGH0DF1U03

ACTIVE MOIETY

Amount: