UCSF

ZINC00897369

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 14 No

CAS Numbers: 59-87-0 , [59-87-0]

Other Names:

(2E)-2-[(5-Nitro-2-furyl)methylene]hydrazinecarboxamide

(5-Nitro-2-furfurylidenamino)urea; (5-nitro-2-furfurylideneamino)urea; 1-(5-Nitro-2-furfurylidene)semicarbazide; 2((5-Nitro-2-furanyl)methylene)hydrazinecarboxamide; 2-Furaldehyde, 5-nitro-, semicarbazone; 2-Furancarboxaldehyde, 5-nitro-, semicarbazone; 2

346

5-Nitro-2-furaldehyde semicarbazone

5-Nitro-2-furaldehyde semicarbazone, 98+%

5-Nitro-2-furaldehyde semicarbazone; 59-87-0; C08042; Nitrofurazone

5-Nitro-2-furfural semicarbazone

59-87-0; D00862; Furacin (TN); Nitrofural (INN); Nitrofurazone (USP)

59-87-0; Nitrofural; Prestwick_806

Actin-N

Aldomycin

Alfucin

Amifur

Babrocid

BAN

Becafurazone

Biofuracina

Biofurea

BRD-K79092138-001-05-2

Chemofuran

Chixin

Cocafurin

Coxistat

Dermofural

Dymazone

Dynazone

Eldezol

Eldezol F-6

FDA

Fedacin

Flavazone

Fracine

Furacilin

Furacillin

Furacin

Furacin Soluble Dressing

Furacin Topical Cream

Furacin Topical Solution

Furacin-E

Furacin-HC

Furacine

Furacinetten

Furacoccid

Furacort

Furacycline

Furaderm

Furagent

Furalcyn

Furaldon

Furalone

Furametral

Furan-Ofteno

Furaplast

Furaseptyl

Furaskin

Furatsilin

Furaziline

Furazin

Furazina

Furazol W

Furazone

Furazyme

Furesol

Furfurin

Furosem

Fuvacillin

Hemofuran

hydrazinecarboxamide, 2-[(5-nitro-2-furanyl)methylene]-, (2E)-

Ibiofural

INN)

INN); Nitrofurazone (BAN

Mammex

Mastofuran

MFCD00003225

Monafuracin

Monafuracis

Monofuracin

Nefco

NF

NF-7

NFS

NFZ

NFZ;Nitrofurazan

Nifucin

Nifurid

Nifuzon

Nitrofural

Nitrofural (DCF

Nitrofural, Furacilin, ACTIN-N, Otofuran

Nitrofuran

Nitrofurane

Nitrofurazan

Nitrofurazone (FDA

Nitrofurazone (Nitrofural)

Nitrofurol

Nitrozone

Otofural

Otofuran

Sanfuran

Spray-Dermis

Spray-Foral

USP)

USP); Nitrofural (DCF

Vabrocid

Vadrocid

Yatrocin

[(E)-(5-nitrofuran-2-yl)methylideneamino]urea

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) 0.68 -0.73 -20.5 3 8 0 126 198.138 3

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.534 Bitter DB
ALOGPS_SOLUBILITY 2.68e-01 g/l DrugBank-approved
Melting Pt.: 235-237?C Toronto Research Chemicals
Purity 97% APIChem
Therapy antiinfective (topical) SMDC Iconix
Melting_Point ca 240? dec. Alfa-Aesar
Melting_Point ca 240° dec. Alfa-Aesar
Solubility: DMSO Toronto Research Chemicals
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50418-2-O Trypanosoma Brucei (cluster #2 Of 6), Other Other 3700 0.54 Functional ≤ 10μM
Z50466-7-O Trypanosoma Cruzi (cluster #7 Of 8), Other Other 8000 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50418 Z50418 Trypanosoma Brucei 310 0.65 Functional ≤ 10μM
Z50466 Z50466 Trypanosoma Cruzi 8000 0.51 Functional ≤ 10μM

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