UCSF

ZINC19632912

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 18 Yes

Popular Name: Imiquimod Imiquimod

Find On: PubMed — Wikipedia — Google

CAS Numbers: 99011-02-6 , 99011-78-6 , [99011-02-6]

Other Names:

imod

1-(2-Methylpropyl)-1H-imidazole[4,5-c]quinoline-4-amine

1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine

1-(2-methylpropyl)-4-imidazo[4,5-c]quinolinamine

1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine

1-isobutyl-1H-imidazo(4,5-c)quinolin-4-amine

1-isobutyl-1H-imidazo[4,5-c]quinolin-4-amine

1-isobutyl-1H-imidazo[4,5-c]quinolin-4-amine; 4-Amino-1-isobutyl-1H-imidazo(4,5-c)quinoline; Imiquimod; R 837

1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-ylamine

1-isobutylimidazo[4,5-c]quinolin-4-amine

1H-Imidazo(4,5-c)quinolin-4-amine, 1-(2-methylpropyl)-

1H-Imidazo(4,5-c)quinolin-4-amine, 1-(2-methylpropyl)-; 4-Amino-1-isobutyl-1H-imidazo(4,5-c)quinoline; ALDARA; C14H16N4; IMIQUIMOD; Imiquimod [USAN:INN]; LS-178395; R 837; R-837; S 26308; S-26308

1H-Imidazo[4,5-c]quinolin-4-amine, 1-(2-methylpropyl)-

3M Brand of Imiquimod

4-Amino-1-isobutyl-1H-imidazo(4,5-c)quinoline

4-Amino-1-isobutyl-1H-imidazo[4,5-c]quinoline

99011-02-6

99011-02-6; Aldara (TN); D02500; Imiquimod (JAN/USAN/INN); Zyclara (TN)

AC-529

AC1L1N2I

AC1Q4YO9

Aldara

Aldara (TN)

Aldara, Imiquimod

BAN

BB_SC-2107

Beselna

BIDD:GT0859

C056493

CHEBI:36704

CHEMBL1282

CID57469

CPD000469189; IMIQUIMOD ACETATE; Imiquimod; SAM001246660

CPD000469189; IMIQUIMOD ACETATE; SAM001246660

D02500

DAP000278

DB00724

DZ-2636

FDA

FT-0080222

HMS2090M14

I06-0624

I06-2289

I0747

I5159_SIGMA

Imiquimod (BAN

Imiquimod (FDA

Imiquimod (hydrochloride)

Imiquimod (JAN/USAN/INN)

Imiquimod / 1-(2-METHYLPROPYL)-1H-IMIDAZO[4,5-C]Q

Imiquimod / 1-(2-METHYLPROPYL)-1H-IMIDAZO[4,5-C]QUINOLIN-4-AMINE

Imiquimod acetate

Imiquimod [USAN:INN]

INN

LS-178395

MFCD00866946

MLS000083577

MolPort-002-507-845

MTD-39

NCGC00070736-02

NSC369100

OR-2652

R 837

R-837

R-837; S-26308

S 26308

S-26308

S1211_Selleck

SMR000048307

STK583860

TL8006059

TMX-101

UNII-P1QW714R7M

USAN)

Vyloma

Zartra

ZINC19632912

Zyclara

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) 2.66 6.8 -10.57 2 4 0 57 240.31 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.47e-01 g/l DrugBank-approved
MP 294 TCI
Purity 97% Fluorochem
biological_use Cytostatic IBScreen Bioactives
Patent Database Links EP1495758; EP1529781; EP1685843; EP1743896; EP1767216; EP1849797; EP1872775; EP1889609; EP1891953; EP1894941; EP1958613; EP1958956; US2005004144; US2005085500; US2005197299; US2005266024; US2007184059; US2007184096; US2007189977; US2007196323; US200719632 ChEBI
UniProt Database Links IGFL_MOUSE ChEBI
Target Immunology & Inflammation related Selleck Chemicals
Therapy immunomodulator SMDC Pharmakon
biological_use Immunostimulant IBScreen Bioactives IBScreen Bioactives
mechanism Interferon inducer IBScreen Bioactives IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP00581I; 1 acetic acid NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
Reactome Database Links REACT_24948; REACT_24953; REACT_24964; REACT_24966; REACT_25001; REACT_25002; REACT_25011; REACT_25086; REACT_25090; REACT_25150; REACT_25184; REACT_25251; REACT_25312; REACT_25392; REACT_9012 ChEBI
mechanism Reported cell proliferation inducer IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP00581I; SALT: 1 acetic acid NIH Clinical Collection via PubChem
Purity USP 24 APIChem
biological_use Virucide IBScreen Bioactives
Indications warts KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TLR7-1-E Toll-like Receptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 2120 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TLR7_HUMAN Q9NYK1 Toll-like Receptor 7, Human 2120 0.44 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
MyD88 dependent cascade initiated on endosome
MyD88-dependent cascade initiated on endosome membrane
NFkB and MAPK activation mediated by TRAF6 upon TLR7 or TLR21 stimulation
TLR7 cascade
Toll Like Receptor 7/8 (TLR7/8) Cascade
TRAF6 mediated induction of NFkB and MAP kinases upon TLR7/8 or 9 activation
TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling

Reactome Annotations from Targets (via Uniprot)

Description Species
MyD88 dependent cascade initiated on endosome
Toll Like Receptor 7/8 (TLR7/8) Cascade
TRAF6 mediated induction of NFkB and MAP kinases upon TLR7/8 or 9 activation
TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling
Trafficking and processing of endosomal TLR

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

No pre-computed analogs available. Try a structural similarity search.