UCSF

ZINC18086647

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 17 No

Popular Name: 2-(4-Carbamimidoyl-2,3-dihydro-1H-inden-1-ylidene)hydrazinecarboximidamide 2-(4-Carbamimidoyl-2,3-dihydro-1…

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CAS Numbers: 138794-73-7 , 1443105-76-7 , 149400-88-4 , [1443105-76-7]

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) -0.72 2.86 -76.33 9 6 2 128 232.291 3 ↓
Ref Reference (pH 7) -0.72 2.83 -76.26 9 6 2 128 232.291 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DCAM-2-E S-adenosylmethionine Decarboxylase 1 (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.68 Binding ≤ 10μM
Z80532-1-O T-24 (Bladder Carcinoma Cells) (cluster #1 Of 6), Other Other 710 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DCAM_RAT P17708 S-adenosylmethionine Decarboxylase 1, Rat 5 0.68 Binding ≤ 1μM
DCAM_RAT P17708 S-adenosylmethionine Decarboxylase 1, Rat 5 0.68 Binding ≤ 10μM
Z80532 Z80532 T-24 (Bladder Carcinoma Cells) 710 0.51 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of polyamines

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

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