UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 10-fluoro-9-(4-fluoro-3-propoxy-phenyl)-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic 10-fluoro-9-(4-fluoro-3-propoxy-…

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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) 6.71 14.32 -52.57 1 4 -1 65 432.446 5 ↓

Analogs

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Popular Name: 10-fluoro-9-(3-methylsulfonylphenyl)-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic 10-fluoro-9-(3-methylsulfonylphe…

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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) 4.53 10.77 -60.39 1 5 -1 90 434.468 3 ↓

Analogs

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Popular Name: 9-(4-ethylsulfonylphenyl)-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic 9-(4-ethylsulfonylphenyl)-10-flu…

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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) 4.93 11.64 -57.85 1 5 -1 90 448.495 4 ↓

Analogs

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Popular Name: 9-[3-(dimethylamino)phenyl]-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic 9-[3-(dimethylamino)phenyl]-10-f…

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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) 5.76 13.64 -52.5 1 4 -1 59 399.445 3 ↓
Lo Low (pH 4.5-6) 5.76 14.39 -80.24 2 4 0 60 400.453 3 ↓

Analogs

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Popular Name: 10-fluoro-9-(4-morpholinophenyl)-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic 10-fluoro-9-(4-morpholinophenyl)…

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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) 5.63 13.19 -53.42 1 5 -1 68 441.482 3 ↓

Analogs

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Popular Name: 9-[3-(cyanomethyl)phenyl]-10-fluoro-2-hydroxy-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic 9-[3-(cyanomethyl)phenyl]-10-flu…

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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) 5.62 12.47 -60.33 2 5 -1 100 411.412 3 ↓

Analogs

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Popular Name: 9-allyl-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic 9-allyl-10-fluoro-6,11-dihydro-5…

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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) 4.71 11.64 -50.57 1 3 -1 56 320.343 3 ↓

Analogs

31894424
31894424

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Popular Name: 9-(4-butylphenyl)-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic 9-(4-butylphenyl)-6,11-dihydro-5…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TPOR-1-E Thrombopoietin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 111 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TPOR_HUMAN P40238 Thrombopoietin Receptor, Human 111 0.32 Functional ≤ 10μM

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) 7.46 15.99 -50.98 1 3 -1 56 394.494 5 ↓

Analogs

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Popular Name: 9-(4-butylphenyl)-N-methyl-6,11-dihydro-5H-benzo[a]carbazole-3-carboxamide 9-(4-butylphenyl)-N-methyl-6,11-…

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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) 6.74 13.73 -12.25 2 3 0 45 408.545 5 ↓

Parameters Provided:

ring.id = 14557
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 14557 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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