UCSF

ZINC12495255

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 22 Yes

Popular Name: Fenpropimorph Fenpropimorph

Find On: PubMed — Wikipedia — Google

CAS Numbers: 67306-03-0 , 67564-91-4 , [67564-91-4]

Other Names:

(+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)-2,6- dimethylmorpholine; CPD-4504; cis-2,6-dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2- methylpropyl)morpholine; cis-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-2,6- dimethylmorpholine (9CI); cis

(+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)-2,6-dimethylmorpholine; cis-2,6-dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)morpholine; cis-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine; cis-4-(3-(p-tert-butyl

(+-)-cis-4-(3-(4-tert-Butylphenyl)-2-methylpropyl)-2,6-dimethylmorpholine; EINECS 266-719-9; Fenpropimorph [BSI:ISO]; Fenpropimorph cis-form; Fenpropimorphe [ISO-French]; LS-92754; Morpholine, 2,6-dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl

(S)-cis-fenpropimorph

(S)-fenpropimorph

4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine; BAS 42100F; BAS 421F; Corbel; EINECS 266-639-4; Fenpropimorph; Fenpropimorph [ISO]; Forbel 750; Funbas; LAB 108 406; LS-92759; Mildofix; Mistral; Mistral T; Morpholine, 4-(3-(4-(1,

4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine

4-[3-(4-Tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine;4-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine, 9CI;Corbel;Fenpropemorph;Fenpropimorph;Fenpropimorphe;Funbas;Mildofix;Mistral;Mistral t;Power task

4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine

67564-91-4; C18787; Fenpropimorph

cis-4-[3-(p-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine

cis-fenpropimorph

Corbel; Mistral

CPD-9543; fenpropimorph

LS-192084

MFCD00144306

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) 5.17 9.94 -2.84 0 2 0 12 303.49 5 ↓

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP1700845; US2005065197; US2008249113; WO2008115381 ChEBI
UniProt Database Links ERG24_YEAST; FEN2_YEAST; FMS1_YEAST; SET6_YEAST ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EBP-1-E 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.48 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
ERG2-2-F C-8 Sterol Isomerase (cluster #2 Of 2), Fungal Fungi 0 0.00 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EBP_HUMAN Q15125 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Human 30 0.48 Binding ≤ 1μM
ERG2_YEAST P32352 C-8 Sterol Isomerase, Yeast 0.1 0.64 Binding ≤ 1μM
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 0.1 0.64 Binding ≤ 1μM
SGMR1_CAVPO Q60492 Sigma-1 Receptor, Guinea Pig 0.1 0.64 Binding ≤ 1μM
EBP_HUMAN Q15125 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Human 30 0.48 Binding ≤ 10μM
ERG2_YEAST P32352 C-8 Sterol Isomerase, Yeast 0.1 0.64 Binding ≤ 10μM
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 0.1 0.64 Binding ≤ 10μM
SGMR1_CAVPO Q60492 Sigma-1 Receptor, Guinea Pig 0.1 0.64 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Cholesterol biosynthesis

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