UCSF

ZINC17953024

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 33 Yes

Popular Name: Clofazimine Clofazimine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2030-63-9 , [2030-63-9]

Other Names:

(3Z)-N,5-bis(4-chlorophenyl)-3-[(1-methylethyl)imino]-3,5-dihydrophenazin-2-amine

2-Phenazinamine, 3,5-dihydro-N,5-bis(4-chlorophenyl)-3-((1-methylethyl)imino)-

2-Phenazinamine, 3,5-dihydro-N,5-bis(4-chlorophenyl)-3-((1-methylethyl)imino)-; 2-Phenazinamine, N,5-bis(4-chlorophenyl)-3,5-dihydro-3-((1-methylethyl)imino)-; 3-(p-Chloranilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)-phenazine; 3-(p-Chlorani

2-Phenazinamine, 3,5-dihydro-N,5-bis(4-chlorophenyl)-3-[(1-methylethyl)imino]-

2-Phenazinamine, N,5-bis(4-chlorophenyl)-3,5-dihydro-3-((1-methylethyl)imino)-

2-Phenazinamine, N,5-bis(4-chlorophenyl)-3,5-dihydro-3-[(1-methylethyl)imino]-

2030-63-9

2030-63-9; C06915; Clofazimine

2030-63-9; Clofazimine (JAN/USP/INN); D00278; Lamprene (TN)

2030-63-9; Clofazimine; Prestwick_685

3-(p-Chloranilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)-phenazine

3-(p-chloranilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)-phenazine; 3-(p-chloranilino)-10-(p-chlorphenyl)-2,10-dihydro-2-(isopropylimino)-phenazin

3-(p-Chloranilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)phenazine

3-(p-Chloranilino)-10-(p-chlorphenyl)-2,10-dihydro-2-(isopropylimino)-phenazin

3-(p-Chloranilino)-10-(p-chlorphenyl)-2,10-dihydro-2-(isopropylimino)-phenazin [German]

3-(p-Chloroanilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)phenazine

4-25-00-03033 (Beilstein Handbook Reference)

AC1L1EHE

B 663

B 663 (Pharmaceutical)

B 663 (VAN)

B 663, pharmaceutical

B-663

B. 663

B663

BIDD:PXR0147

BPBio1_000585

BRN 0060420

BSPBio_000531

C06915

C27H22Cl2N4

C8895_SIGMA

CAS-2030-63-9

CFZ

CHEBI:355347

CHEBI:3749

CHEBI:730395

CHEMBL1083384

CHEMBL1292

Chlofazimine

Chlofazimine;Clofazimina [INN-Spanish];Clofaziminum [INN-Latin]

CID2794

Clofazimina

Clofazimina [INN-Spanish]

clofazimina; clofazimine; clofaziminum

Clofazimine (BAN

Clofazimine (JAN/USP/INN)

Clofazimine [USAN:INN:BAN]

CLOFAZIMINE; CPD000058704; SAM001246878

Clofaziminum

Clofaziminum [INN-Latin]

CPD000058704

CPD000058704; CLOFAZIMINE

D00278

DAP000789

DB00845

EINECS 217-980-2

FDA

G 30320

G-30,320

G-30320

HMS1569K13

HMS2052B05

HMS2093J10

I06-1891

INN

Lampren

Lamprene

Lamprene (TN)

Liposome-encapsulated clofazimine

LS-103014

MFCD00056793

MLS000028617

MLS001424318

N,5-Bis(4-chlorophenyl)-3,5-dihydro-3-(1-methylethyl)imino)-2-phenazinamine

N,5-Bis(4-chlorophenyl)-3,5-dihydro-3-(isopropylimino)phenazin-2-amine

N,5-Bis(4-chlorophenyl)-3,5-dihydro-3-[(1-methylethyl)imino]-2-phenazinamine

N,5-bis(4-chlorophenyl)-3-(propan-2-ylimino)-3,5-dihydrophenazin-2-amine

N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine

N/A

NCGC00016600-01

NCGC00016600-02

NCGC00179529-01

NSC 141046

NSC-141046

NSC141046

Phenazine, 2,10-dihydro-3-(p-chloroanilino)-10-(p-chlorophenyl)-2-(isopropylimino)-

Phenazine, 3-(p-chloroanilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)-

Prestwick0_000376

Prestwick1_000376

Prestwick2_000376

Prestwick3_000376

Prestwick_685

SAM001246878

SMP2_000339

SMR000058704

SPBio_002452

ST51014966

UNII-D959AE5USF

USAN

USP)

Download: MOL2 SDF SMILES Flexibase

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) 8.43 14.23 -23.36 2 4 1 44 474.415 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.51e-03 g/l DrugBank-approved
Indications Anti-inflammatory KeyOrganics Bioactives
Therapy antibacterial, antilepretic, antituberculosis SMDC Pharmakon
UniProt Database Links MFS55_MYCBP ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : C8895 NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
Target Phospholipase (e.g. PLA) Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: C8895 NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CYSP-3-E Cruzipain (cluster #3 Of 4), Eukaryotic Eukaryotes 6000 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CYSP_TRYCR P25779 Cruzipain, Trycr 6000 0.22 Binding ≤ 10μM

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

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