GB-1275 FREE ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H15NO4S2
Molecular Weight	421.489
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC=C(C=C1)C2=CC=C(O2)\C=C3/SC(=S)N(CC4=CC=CC=C4)C3=O

InChI

InChIKey=AEZGRQSLKVNPCI-UNOMPAQXSA-N

InChI=1S/C22H15NO4S2/c24-20-19(29-22(28)23(20)13-14-4-2-1-3-5-14)12-17-10-11-18(27-17)15-6-8-16(9-7-15)21(25)26/h1-12H,13H2,(H,25,26)/b19-12-

HIDE SMILES / InChI

Molecular Formula	C22H15NO4S2
Molecular Weight	421.489
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Integrin alpha-M/beta-2 3 Target ID: CHEMBL2111362 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21900205	Activator 1447		4.0 mM [EC50]

C_max

Value	Dose	Analyte	Population
2869 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/31270275/	30 mg/kg single, oral dose: 30 mg/kg route of administration: Oral experiment type: SINGLE co-administered:	LEUKADHERIN-1 plasma	Rattus norvegicus population: HEALTHY age: ADULT sex: FEMALE food status: FASTED
1716 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/31270275/	30 mg/kg single, oral dose: 30 mg/kg route of administration: Oral experiment type: SINGLE co-administered:	LEUKADHERIN-1 plasma	Rattus norvegicus population: HEALTHY age: ADULT sex: MALE food status: FASTED
1900 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/31270275/	30 mg/kg 1 times / day multiple, oral dose: 30 mg/kg route of administration: Oral experiment type: MULTIPLE co-administered:	LEUKADHERIN-1 plasma	Rattus norvegicus population: HEALTHY age: ADULT sex: MALE food status: FASTED
2594 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/31270275/	100 mg/kg single, oral dose: 100 mg/kg route of administration: Oral experiment type: SINGLE co-administered:	LEUKADHERIN-1 plasma	Rattus norvegicus population: HEALTHY age: ADULT sex: MALE food status: FASTED
1800 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/31270275/	100 mg/kg 1 times / day multiple, oral dose: 100 mg/kg route of administration: Oral experiment type: MULTIPLE co-administered:	LEUKADHERIN-1 plasma	Rattus norvegicus population: HEALTHY age: ADULT sex: MALE food status: FASTED

AUC

Value	Dose	Analyte	Population
15248 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/31270275/	30 mg/kg single, oral dose: 30 mg/kg route of administration: Oral experiment type: SINGLE co-administered:	LEUKADHERIN-1 plasma	Rattus norvegicus population: HEALTHY age: ADULT sex: FEMALE food status: FASTED
6950 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/31270275/	30 mg/kg single, oral dose: 30 mg/kg route of administration: Oral experiment type: SINGLE co-administered:	LEUKADHERIN-1 plasma	Rattus norvegicus population: HEALTHY age: ADULT sex: MALE food status: FASTED
8206 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/31270275/	30 mg/kg 1 times / day multiple, oral dose: 30 mg/kg route of administration: Oral experiment type: MULTIPLE co-administered:	LEUKADHERIN-1 plasma	Rattus norvegicus population: HEALTHY age: ADULT sex: MALE food status: FASTED
13962 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/31270275/	100 mg/kg single, oral dose: 100 mg/kg route of administration: Oral experiment type: SINGLE co-administered:	LEUKADHERIN-1 plasma	Rattus norvegicus population: HEALTHY age: ADULT sex: MALE food status: FASTED
9840 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/31270275/	100 mg/kg 1 times / day multiple, oral dose: 100 mg/kg route of administration: Oral experiment type: MULTIPLE co-administered:	LEUKADHERIN-1 plasma	Rattus norvegicus population: HEALTHY age: ADULT sex: MALE food status: FASTED

T_1/2

Value	Dose	Analyte	Population
3.84 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/31270275/	30 mg/kg single, oral dose: 30 mg/kg route of administration: Oral experiment type: SINGLE co-administered:	LEUKADHERIN-1 plasma	Rattus norvegicus population: HEALTHY age: ADULT sex: FEMALE food status: FASTED
4.68 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/31270275/	30 mg/kg single, oral dose: 30 mg/kg route of administration: Oral experiment type: SINGLE co-administered:	LEUKADHERIN-1 plasma	Rattus norvegicus population: HEALTHY age: ADULT sex: MALE food status: FASTED
9.54 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/31270275/	30 mg/kg 1 times / day multiple, oral dose: 30 mg/kg route of administration: Oral experiment type: MULTIPLE co-administered:	LEUKADHERIN-1 plasma	Rattus norvegicus population: HEALTHY age: ADULT sex: MALE food status: FASTED
3.95 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/31270275/	100 mg/kg single, oral dose: 100 mg/kg route of administration: Oral experiment type: SINGLE co-administered:	LEUKADHERIN-1 plasma	Rattus norvegicus population: HEALTHY age: ADULT sex: MALE food status: FASTED
3.48 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/31270275/	100 mg/kg 1 times / day multiple, oral dose: 100 mg/kg route of administration: Oral experiment type: MULTIPLE co-administered:	LEUKADHERIN-1 plasma	Rattus norvegicus population: HEALTHY age: ADULT sex: MALE food status: FASTED

PubMed

Title	Date	PubMed
Small molecule-mediated activation of the integrin CD11b/CD18 reduces inflammatory disease.	2011-09-06	21900205

Substance Class	Chemical Created by `admin` on `Wed Apr 02 01:44:08 GMT 2025` Edited by `admin` on `Wed Apr 02 01:44:08 GMT 2025`
Record UNII	HF23I3UYO2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GB-1275 FREE ACID

Code

English

ADH503 FREE ACID

Preferred Name

English

BENZOIC ACID, 4-(5-((Z)-(4-OXO-3-(PHENYLMETHYL)-2-THIOXO-5-THIAZOLIDINYLIDENE)METHYL)-2-FURANYL)-

Systematic Name

English

Code System Code Type Description

CAS

2055362-72-4

Created by admin on Wed Apr 02 01:44:08 GMT 2025 , Edited by admin on Wed Apr 02 01:44:08 GMT 2025

PRIMARY

PUBCHEM

5342077

Created by admin on Wed Apr 02 01:44:08 GMT 2025 , Edited by admin on Wed Apr 02 01:44:08 GMT 2025

PRIMARY

FDA UNII

HF23I3UYO2

Created by admin on Wed Apr 02 01:44:08 GMT 2025 , Edited by admin on Wed Apr 02 01:44:08 GMT 2025

PRIMARY

Related Record Type Details


					THN3VQ67CA

ADH-503

SALT/SOLVATE -> PARENT

Amount:


					12YYA6IML4

INTEGRIN ALPHA-M

TARGET -> ACTIVATOR

Comments:

Allosteric modulator of CD11b, was shown to increase cell adhesion and reduce migration in vitro and effectively reduce macrophage and neutrophil migration in several animal models of inflammatory conditions.

Interaction Type:

ALLOSTERIC ACTIVATOR

Amount:

Related Record Type Details


					HF23I3UYO2

GB-1275 FREE ACID

ACTIVE MOIETY

Amount:

Details

SMILES

InChI

Approval Year

Targets

Cmax

AUC

T1/2

PubMed

C_max

T_1/2