ADH-503

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H14NO4S2.C5H14NO
Molecular Weight	524.652
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[N+](C)(C)CCO.[O-]C(=O)C1=CC=C(C=C1)C2=CC=C(O2)\C=C3/SC(=S)N(CC4=CC=CC=C4)C3=O

InChI

InChIKey=GOWDQYRMBCOOJR-JHMJKTBASA-M

InChI=1S/C22H15NO4S2.C5H14NO/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;1-6(2,3)4-5-7/h1-12H,13H2,(H,25,26);7H,4-5H2,1-3H3/q;+1/p-1/b19-12-;

HIDE SMILES / InChI

Molecular Formula	C5H13NO
Molecular Weight	103.1628
Charge	0
Count

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

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 04:39:32 GMT 2025` Edited by `admin` on `Wed Apr 02 04:39:32 GMT 2025`
Record UNII	THN3VQ67CA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ADH503

Preferred Name

English

ADH-503

Code

English

GB 1275 [WHO-DD]

Common Name

English

2-HYDROXY-N,N,N-TRIMETHYLETHAN-1-AMINIUM (Z)-4-(5-((3-BENZYL-4-OXO-2-THIOXOTHIAZOLIDIN-5-YLIDENE)METHYL)FURAN-2-YL)BENZOATE

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

701219