| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 24 | No |
Popular Name: Griseofulvin Griseofulvin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 126-07-8 , 7/8/126 , 8/7/126 , [126-07-8]
(1'S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
(2S)-trans-7-Chloro-2_,4,6-trimethoxy-6_-methylspiro(benzofuran-2[3H],1_-[2]cyclohexene)-3,4_-dione
126-07-8; C06686; Griseofulvin
126-07-8; CPD000718755; Griseofulvin; SAM002589940
126-07-8; D00209; GRE; Gris-peg (TN); Grisactin V (TN); Griseofulvin (JP16/USP/INN)
126-07-8; Griseofulvin; Prestwick_247
7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
CPD000718755; Griseofulvin; SAM002589940
Griseofulvin, Antibiotic for Culture Media Use Only
griseofulvin; griseofulvina; griseofulvine; griseofulvinum
Griseofulvina [INN-Spanish];Griseofulvine [INN-French];Griseofulvinum [INN-Latin]
Microcrystalline (FDA); Griseofulvin
ultramicrocrystalline (FDA); Griseofulvin
Ultramicrocrystalline (FDA); Griseofulvin (BAN
| 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) | 1.58 | 4.81 | -12.73 | 0 | 6 | 0 | 71 | 352.77 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 217 - 224 | Acros Organics |
| MP | 218 - 220 | Enamine Building Blocks |
| MP | 218-220 °C(lit.) | Indofine |
| Melting_Point | 218-220? | Alfa-Aesar |
| Melting_Point | 218-220° | Alfa-Aesar |
| MP | 218...220 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 5.04e-02 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| biological_use | activity against: Trichophyton rubrum | IBScreen Bioactives |
| biological_use | Antifungal agent against | IBScreen Bioactives |
| Therapy | antifungal, inhibits mitosis in metaphase | SMDC Iconix |
| mechanism | Binds tightly to new keratin which becomes highly resistant to fungal invasions | IBScreen Bioactives |
| PUBCHEM_PATENT_ID | EP0051071A1; EP0063773A1; EP0078509A1; EP0095677A2; EP0126351A1; EP0191269A2; EP0191269B1; EP0237506A1; EP0237506B1; EP0254677A1; EP0273890A1; EP0292495A1; EP0292495B1; EP0305470A1; EP0305470B1; EP0336014B1; EP1017427A1; EP1032263A1; US4034035; US4344934 | IBM Patent Data |
| Patent Database Links | EP1632239; EP1639994; EP1685843; EP1731138; EP1754481; EP1839648; EP1857113; EP1864657; EP1872775; EP1925316; EP1935410; US2005101662; US2006205757; US2006235023; US2007184075; US2007184076; US2007189977; US2007196323; US2007196325; US2007196452; US200719 | ChEBI |
| biological_use | Epidermophyton floccosum. | IBScreen Bioactives |
| H phrase | H351: Suspected of causing cancer | Acros Organics |
| H phrase | H351: Suspected of causing cancer; H317: May cause an allergic skin reaction; H360FD: May damage fertility. May damage the unborn child | Acros Organics |
| biological_source | Metab. of Penicillium griseofulvum | ZereneX Building Blocks |
| biological_use | Microsporum audouini | IBScreen Bioactives |
| biological_use | Microsporum canis | IBScreen Bioactives |
| biological_use | Microsporum gypseum | IBScreen Bioactives |
| Target | Microtubule Associated | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : G-5347; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER | NIH Clinical Collection via PubChem |
| P phrase | P280: Wear eye protection/face protection | Acros Organics |
| P phrase | P280: Wear eye protection/face protection; P281: Use personal protective equipment as required; P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention | Acros Organics |
| R phrase | R60: May impair fertility. | Acros Organics |
| R phrase | R60: May impair fertility.; R61: May cause harm to the unborn child.; R40: Limited evidence of a carcinogenic effect.; R43: May cause sensitisation by skin contact. | Acros Organics |
| S phrase | S53: Avoid exposure - obtain special instructions before use. | Acros Organics |
| S phrase | S53: Avoid exposure - obtain special instructions before use.; S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: G-5347; SUPPLIER_COMMENTS: WHITE POWDER | NIH Clinical Collection via PubChem |
| Hazard | T: Toxic | Acros Organics |
| UniProt Database Links | TAU_MOUSE | ChEBI |
| biological_use | Trichophyton crateriform | IBScreen Bioactives |
| biological_use | Trichophyton gallinae | IBScreen Bioactives |
| biological_use | Trichophyton interdigitalis | IBScreen Bioactives |
| biological_use | Trichophyton megnini | IBScreen Bioactives |
| biological_use | Trichophyton mentagrophytes | IBScreen Bioactives |
| biological_use | Trichophyton schoenleini | IBScreen Bioactives |
| biological_use | Trichophyton sulphureum | IBScreen Bioactives |
| biological_use | Trichophyton tonsurans | IBScreen Bioactives |
| biological_use | Trichophyton verrucosum | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 7), Other | Other | 10000 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 10000 | 0.29 | Functional ≤ 10μM |
