GANETESPIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H20N4O3
Molecular Weight	364.3978
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GANETESPIB

Structure Search

SMILES

CC(C)C1=CC(C2=NN=C(O)N2C3=CC4=C(C=C3)N(C)C=C4)=C(O)C=C1O

InChI

InChIKey=RVAQIUULWULRNW-UHFFFAOYSA-N

InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)

HIDE SMILES / InChI

Molecular Formula	C20H20N4O3
Molecular Weight	364.3978
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 `Fri Dec 15 16:49:06 UTC 2023` Edited by `admin` on `Fri Dec 15 16:49:06 UTC 2023`
Record UNII	2E8412Y946
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

GANETESPIB

Official Name

English

3-(2,4-DIHYDROXY-5-ISOPROPYLPHENYL)-4-(1-METHYLINDOL-5-YL)-5-HYDROXY-4H-1,2,4-TRIAZOLE

Systematic Name

English

ganetespib [INN]

Common Name

English

3H-1,2,4-TRIAZOL-3-ONE, 5-(2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL)-2,4-DIHYDRO-4-(1-METHYL-1H-INDOL-5-YL)-

Systematic Name

English

5-(2,4-DIHYDROXY-5-(PROPAN-2-YL)PHENYL)-4-(1-METHYL-1H-INDOL-5-YL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE

Systematic Name

English

GANETESPIB [USAN]

Common Name

English

TRIAZOLONE DERIVATIVE INHIBITOR OF HEAT SHOCK PROTEIN 90

Common Name

English

Ganetespib [WHO-DD]

Common Name

English

STA 9090

Code

English

STA-9090

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C74526

Created by admin on Fri Dec 15 16:49:06 UTC 2023 , Edited by admin on Fri Dec 15 16:49:06 UTC 2023

Code System Code Type Description

USAN

XX-74

Created by admin on Fri Dec 15 16:49:06 UTC 2023 , Edited by admin on Fri Dec 15 16:49:06 UTC 2023

PRIMARY

INN

9424

Created by admin on Fri Dec 15 16:49:06 UTC 2023 , Edited by admin on Fri Dec 15 16:49:06 UTC 2023

PRIMARY

NCI_THESAURUS

C77872

Created by admin on Fri Dec 15 16:49:06 UTC 2023 , Edited by admin on Fri Dec 15 16:49:06 UTC 2023

PRIMARY

FDA UNII

2E8412Y946

Created by admin on Fri Dec 15 16:49:06 UTC 2023 , Edited by admin on Fri Dec 15 16:49:06 UTC 2023

PRIMARY

EPA CompTox

DTXSID401025663

Created by admin on Fri Dec 15 16:49:06 UTC 2023 , Edited by admin on Fri Dec 15 16:49:06 UTC 2023

PRIMARY

PUBCHEM

135564985

Created by admin on Fri Dec 15 16:49:06 UTC 2023 , Edited by admin on Fri Dec 15 16:49:06 UTC 2023

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CAS

888216-25-9

Created by admin on Fri Dec 15 16:49:06 UTC 2023 , Edited by admin on Fri Dec 15 16:49:06 UTC 2023

PRIMARY

ChEMBL

CHEMBL2103879

Created by admin on Fri Dec 15 16:49:06 UTC 2023 , Edited by admin on Fri Dec 15 16:49:06 UTC 2023

PRIMARY

DRUG BANK

DB12047

Created by admin on Fri Dec 15 16:49:06 UTC 2023 , Edited by admin on Fri Dec 15 16:49:06 UTC 2023

PRIMARY

SMS_ID

300000034243

Created by admin on Fri Dec 15 16:49:06 UTC 2023 , Edited by admin on Fri Dec 15 16:49:06 UTC 2023

PRIMARY

MESH

C533237

Created by admin on Fri Dec 15 16:49:06 UTC 2023 , Edited by admin on Fri Dec 15 16:49:06 UTC 2023

PRIMARY

Related Record Type Details


					GDA794T1VC

HEAT SHOCK PROTEIN 90KD ALPHA

TARGET -> INHIBITOR

Amount:

Related Record Type Details


					E1942E7K32

STA-1474

PRODRUG -> METABOLITE ACTIVE

Comments:

STA-1474, a water-soluble phosphate prodrug of ganetespib

Related Record Type Details


					2E8412Y946

ACTIVE MOIETY