Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01478
|
|||||
| Drug Name |
Quinacrine
|
|||||
| Synonyms |
quinacrine; mepacrine; atabrine; Acrinamine; Acriquine; 83-89-6; Quinactine; Antimalarina; Haffkinine; Akrichin; Italchine; acrichine; Erion; Mepacrinum; Quinacrine hydrochloride; Mepacrine [INN:BAN]; St 439; Mepacrinum [INN-Latin]; Mepacrina [INN-Spanish]; atebrin; Malaricida; Methoquine; Palacrin; Italchin; Pentilen; Palusan; Atebrine; Metochin; Mecryl; Quinacrine, Mepacrine; 3-Chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine; 2-Methoxy-6-chloro-9-diethylaminopentylaminoacridine; HSDB 3253
|
|||||
| Drug Type |
Small molecular drug
|
|||||
| Indication | Prostate cancer [ICD11:2C82] | Phase 2 | [1] | |||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C23H30ClN3O
|
|||||
| Canonical SMILES |
CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
|
|||||
| InChI |
InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
|
|||||
| InChIKey |
GPKJTRJOBQGKQK-UHFFFAOYSA-N
|
|||||
| CAS Number |
CAS 83-89-6
|
|||||
| Pharmaceutical Properties | Molecular Weight | 400 | Topological Polar Surface Area | 37.4 | ||
| Heavy Atom Count | 28 | Rotatable Bond Count | 9 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
6
|
|||||
| PubChem CID | ||||||
| PubChem SID |
9546
,598066
,3138736
,5198883
,8150522
,10589337
,11335276
,11360515
,11363823
,11364917
,11366385
,11367479
,11368947
,11370041
,11371712
,11373080
,11374150
,11375641
,11377109
,11378211
,11405321
,11461487
,11466346
,11467466
,11484412
,11486271
,11488704
,11490422
,11492311
,11494743
,11533330
,14781277
,24262994
,24438614
,25820836
,46507828
,47365028
,47440097
,47736309
,48034955
,48034956
,48110303
,48110304
,48184845
,48334330
,48415587
,49698889
,49864262
,50111199
,53790823
|
|||||
| ChEBI ID |
CHEBI:8711
|
|||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| References | ||||||
| 1 | ClinicalTrials.gov (NCT00417274) Quinacrine Treatment in Patients With Androgen-Independent Prostate Cancer | |||||
| 2 | Arginine-482 is not essential for transport of antibiotics, primary bile acids and unconjugated sterols by the human breast cancer resistance protein (ABCG2). Biochem J. 2005 Jan 15;385(Pt 2):419-26. | |||||
If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.