UCSF

ZINC08585921

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2007 12 No

Popular Name: 1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane; 1-(1,2-Dibromoethyl)-3,4-dibromocyclohexane; 4-(1,2-Dibromoethyl)-1,2-dibromocyclohexane; BRN 1927455; CCRIS 3743; Citex BCL 462; Cyclohexane, 1,2-dibromo-4-(1,2-dibromoethyl)-; EINECS 222-036-8; HSDB 6146; LS- 1,2-Dibromo-4-(1,2-dibromoethyl)…

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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) 4.26 8.26 -3.12 0 0 0 0 427.8 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-2-E Androgen Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 163 0.79 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_RAT P15207 Androgen Receptor, Rat 163 0.79 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 42.7 0.86 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 42.7 0.86 Binding ≤ 10μM
ANDR_RAT P15207 Androgen Receptor, Rat 163 0.79 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway

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