UCSF

ZINC01530863

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 19 Yes

Other Names:

"Primaquine phosphate, 98%"

()-Primaquine

(+)-N4-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine

(+)-Primaquine

(+-)-8-((4-Amino-1-methylbutyl)amino)-6-methoxyquinoline phosphate (1:2); 1,4-Pentanediamine, N(sup 4)-(6-methoxy-8-quinolinyl)-, (+-)-, phosphate (1:2); 1,4-Pentanediamine, N(sup 4)-(6-methoxy-8-quinolinyl)-, phosphate (1:2); 1,4-Pentanediamine, N4-(6-me

(+/-)-Primaquine

(-)-N4-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine

(-)-Primaquine

1,4-Pentanediamine, N(4)-(6-methoxy-8-quinolinyl)-

1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)-

1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)- (9CI)

4-22-00-05817 (Beilstein Handbook Reference)

4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine

6-Methoxy-8-(4-amino-1-methylbutylamino)quinoline

6-Methoxy-8-(4-amino-1-methylbutylamino)quinoline; 8-((4-Amino-1-methylbutyl)amino)-6-methoxyquinoline; 8-(4-Amino-1-methylbutylamino)-6-methoxyquinoline; Neo-Quipenyl; Primachin; Primachinum; Primaquin; Primaquine

6-Methoxy-8-[(4-amino-1-methylbutyl)amino]quinoline

6-Methoxy-8-[4-amino-1-methylbutylamino]quinoline

63-45-6

63-45-6 (1:2 PO4)

63-45-6; CPD000875314; Primaquine Diphosphate; SAM002589929

63-45-6; D02126; Primaquine (TN); Primaquine phosphate (USP)

63-45-6; Prestwick_406; Primaquine diphosphate

8-

8-((4-Amino-1-methylbutyl)amino)-6-methoxyquinoline

8-(4-Amino-1-m

8-(4-Amino-1-methylbutylamino)-6-methoxyquinoline diphosphate salt

8-[(4-Amino-1-methylbutyl)amino]-6-methoxyquinoline

90-34-6

90-34-6; C07627; Primaquine

90-34-6; D08420; Kanaprim (TN); Primaquine (INN)

AB00053529

AC1L1J80

AC1Q4F0C

AC1Q4F4Q

AMINOMETHYLBUTYLAMINOMETHOXYQUINOLIN

BPBio1_000674

BRN 0019337

BSPBio_000612

BSPBio_002223

C07627

CCRIS 4109

CHEBI:110389

CHEBI:8405

CHEMBL506

CID4908

CPD000875314; Primaquine Diphosphate; SAM002589929

D08420

DAP000216

DB01087

DivK1c_000806

dl-Primaquine

EINECS 201-987-2

ethylbutylamino)-6-methoxyquinoline

HMS2090J17

HSDB 6516

I08-0048

IDI1_000806

INN); Primaquine Phosphate (FDA

Kanaprim

Kanaprim (TN)

KBio1_000806

KBio2_001310

KBio2_003878

KBio2_006446

KBio3_001723

KBioGR_000967

KBioSS_001310

LS-141312

LS-190017

MFCD00013166

MFCD00598906

MFCD01457187

MolPort-001-794-628

N(4)-(6-methoxyquinolin-8-yl)pentane-1,4-diamine

N-(5-aminopentan-2-yl)-6-methoxyquinolin-8-amine

N-(5-aminopentan-2-yl)-6-methoxyquinolin-8-amine; bis(phosphoric acid)

N-(5-aminopentan-2-yl)-6-methoxyquinolin-8-amine; phosphoric acid

N-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine

N-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine phosphate

N/A

N4-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine

N4-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine phosphate

NA

NCGC00178754-01

NCGC00178754-02

NCI60_001035

NCI60_005887

Neo-Quipenyl

NINDS_000806

NSC 27296

NSC27296

N~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine

N~4~-[6-(methyloxy)quinolin-8-yl]pentane-1,4-diamine

Oprea1_546209

OR-0774

PQ

Prestwick0_000476

Prestwick1_000476

Prestwick2_000476

Prestwick3_000476

Primachin

Primachina

Primachina [DCIT]

Primachinum

Primaquin

Primaquina

Primaquina [INN-Spanish]

primaquina; primaquine; primaquinum

Primaquine

Primaquine (BAN

Primaquine (INN)

Primaquine Bis-Phosphoric Acid

Primaquine bisphosphate

Primaquine diphosphate

Primaquine Phosphate

Primaquine [INN:BAN]

Primaquinum

Primaquinum [INN-Latin]

QA-0149

Quinoline, 8-(4-amino-1-methylbutylamino)-6-methoxy

Quinoline, 8-(4-amino-1-methylbutylamino)-6-methoxy-

Quinoline, 8-[(4-amino-1-methylbutyl)amino]-6-methoxy-

Quinoline, 8-[(4-amino-1-methylbutyl)amino]-6-methoxy- (6CI,8CI)

S. N. 13272

SMP1_000263

SN 13,272

SN 13272

SPBio_000674

SPBio_002551

Spectrum2_000887

Spectrum3_000552

Spectrum4_000484

Spectrum5_001363

Spectrum_000830

STOCK5S-90838

TG1-296

TG1-297

UNII-MVR3634GX1

USP)

WLN: T66 BNJ HO1 JMY1&3Z

WR 2975

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.10 3.72 -45.2 4 4 1 62 260.361 6
Mid Mid (pH 6-8) 2.10 4.21 -92.18 5 4 2 63 261.369 6

Vendor Notes

Note Type Comments Provided By
MP 200 - 202 Enamine Building Blocks
MP 200...202 Enamine Building Blocks
MP 205 - 206 Enamine Building Blocks
ALOGPS_SOLUBILITY 5.64e-02 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Target Antifection Selleck Chemicals
Therapy antimalarial SMDC Iconix
PUBCHEM_PATENT_ID EP0000291A1; EP0001796A1; EP0035856A2; EP0067671A2; EP0076158A2; EP0076636A1; EP0077551A2; EP0126685A1; EP0132384A2; EP0169618A2; EP0169618B2; EP0208576A1; EP0208615A1; EP0208615B1; EP0256562A2; EP0256562B1; EP0283329A1; EP0286491A1; EP0286491B1; EP029095 IBM Patent Data
Warnings IRRITANT Matrix Scientific
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : P-1603; NCC_SUPPLIER_SAMPLE_COMMENTS : ORANGE POWDER; 2 Phosphoric acid NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: P-1603; SALT: 2 Phosphoric acid; SUPPLIER_COMMENTS: ORANGE POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NQO2-1-E Quinone Reductase 2 (cluster #1 Of 4), Eukaryotic Eukaryotes 7500 0.38 Binding ≤ 10μM
Z50038-1-O Plasmodium Yoelii Yoelii (cluster #1 Of 2), Other Other 76 0.52 Functional ≤ 10μM
Z50136-2-O Plasmodium Falciparum (isolate FcB1 / Columbia) (cluster #2 Of 3), Other Other 9 0.59 Functional ≤ 10μM
Z50339-1-O Pneumocystis Carinii (cluster #1 Of 2), Other Other 8500 0.37 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 9650 0.37 Functional ≤ 10μM
Z50473-4-O Plasmodium Berghei (cluster #4 Of 5), Other Other 2000 0.42 Functional ≤ 10μM
Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 6900 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NQO2_HUMAN P16083 Quinone Reductase 2, Human 7500 0.38 Binding ≤ 10μM
Z80224 Z80224 MCF7 (Breast Carcinoma Cells) 6900 0.38 Functional ≤ 10μM
Z50473 Z50473 Plasmodium Berghei 2000 0.42 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 1320 0.43 Functional ≤ 10μM
Z50136 Z50136 Plasmodium Falciparum (isolate FcB1 / Columbia) 6870 0.38 Functional ≤ 10μM
Z50038 Z50038 Plasmodium Yoelii Yoelii 640 0.46 Functional ≤ 10μM
Z50339 Z50339 Pneumocystis Carinii 2500 0.41 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )