UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-amino-N-[(5,6-dimethylpyrido[4,3-b]carbazol-11-yl)methyl]-3-(1H-indol-3-yl)propanamide (2R)-2-amino-N-[(5,6-dimethylpyr…

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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) 3.60 9.62 -50.38 5 6 1 90 462.577 5 ↓

Analogs

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Popular Name: 6-hex-5-enyl-5,11-dimethyl-pyrido[4,3-b]carbazole 6-hex-5-enyl-5,11-dimethyl-pyrid…

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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) 6.28 13.1 -8.1 0 2 0 18 328.459 5 ↓

Analogs

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Popular Name: 2-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)ethanol 2-(5,11-dimethylpyrido[4,3-b]car…

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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) 3.72 6.81 -8.84 1 3 0 38 290.366 2 ↓

Analogs

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Popular Name: 2-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)ethyl 2-(5,11-dimethylpyrido[4,3-b]car…

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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) 4.79 11.98 -12.22 0 4 0 44 346.43 5 ↓

Analogs

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Popular Name: N-benzyl-2-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)ethanamine N-benzyl-2-(5,11-dimethylpyrido[…

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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) 5.54 13.32 -54.84 2 3 1 34 380.515 5 ↓

Analogs

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Popular Name: 6-(6-chlorohexyl)-5,11-dimethyl-pyrido[4,3-b]carbazole 6-(6-chlorohexyl)-5,11-dimethyl-…

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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) 6.51 13.88 -9.06 0 2 0 18 364.92 6 ↓

Analogs

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Popular Name: 6-(3-chloropropyl)-5,11-dimethyl-pyrido[4,3-b]carbazole 6-(3-chloropropyl)-5,11-dimethyl…

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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) 5.23 11.61 -9.7 0 2 0 18 322.839 3 ↓

Analogs

41671495
41671495

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Popular Name: 6-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)-N,N-diethyl-hexan-1-amine 6-(5,11-dimethylpyrido[4,3-b]car…

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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) 6.69 15.75 -40.36 1 3 1 22 402.606 9 ↓

Analogs

34450598
34450598

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Popular Name: 7-methoxy-6H-pyrido[3,4-h]carbazole 7-methoxy-6H-pyrido[3,4-h]carbazole

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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) 3.54 6.45 -8.51 1 3 0 38 248.285 1 ↓
Lo Low (pH 4.5-6) 3.54 6.73 -37.25 2 3 1 39 249.293 1 ↓

Analogs

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Popular Name: 2-[3-(9-methoxy-5,11-dimethyl-pyrido[4,3-b]carbazol-6-yl)propyl]isoindoline-1,3-dione 2-[3-(9-methoxy-5,11-dimethyl-py…

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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) 5.87 12.88 -15.79 0 6 0 66 463.537 5 ↓

Analogs

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Popular Name: 2-[3-(5,11-dimethylpyrido[4,3-b]carbazol-6-yl)propyl]isoindoline-1,3-dione 2-[3-(5,11-dimethylpyrido[4,3-b]…

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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) 5.84 13.59 -15.15 0 5 0 57 433.511 4 ↓

Analogs

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Popular Name: 9-chloro-5,11-dimethyl-6H-pyrido[4,3-b]carbazole 9-chloro-5,11-dimethyl-6H-pyrido…

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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) 4.94 8.57 -7.17 1 2 0 29 280.758 0 ↓
Lo Low (pH 4.5-6) 4.94 8.84 -35.14 2 2 1 30 281.766 0 ↓

Analogs

5159887
5159887

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Popular Name: 5,11-Dimethyl-6H-pyrido(4,3-b)carbazol-9-amine; 6H-Pyrido(4,3-b)carbazol-9-amine, 5,11-dimethyl-; 9-Aminoellipticine; BRN 0754366; C17H15N3; CCRIS 6481; ICIG 1089; LS-133264; NSC 191345 5,11-Dimethyl-6H-pyrido(4,3-b)ca…

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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) 3.34 5.93 -8.43 3 3 0 55 261.328 0 ↓

Analogs

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Popular Name: 6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-9-fluoro-; 9-Fluoro-5,11-dimethyl-6H-pyrido(4,3-b)carbazole; 9-Fluoroellipticine; LS-133293 6H-Pyrido(4,3-b)carbazole, 5,11-…

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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) 3.45 8.12 -7.65 1 2 0 29 264.303 0 ↓
Lo Low (pH 4.5-6) 3.45 8.38 -35.64 2 2 1 30 265.311 0 ↓

Analogs

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Popular Name: 5,11-dimethyl-6H-pyrido[3,4-h]carbazol-8-ol 5,11-dimethyl-6H-pyrido[3,4-h]ca…

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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) 3.78 5.2 -8.84 2 3 0 49 262.312 0 ↓
Lo Low (pH 4.5-6) 3.78 5.46 -36.94 3 3 1 50 263.32 0 ↓

Analogs

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Popular Name: 1-((3-(Diethylamino)propyl)amino)-5,6,11-trimethyl-6H-pyrido(4,3-b)carbazol-9-ol hydrate; 6H-Pyrido(4,3-b)carbazol-9-ol, 1-((3-(diethylamino)propyl)amino)-5,6,11-trimethyl-, hydrate; LS-133323 1-((3-(Diethylamino)propyl)amino…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FGFR3-1-E Fibroblast Growth Factor Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 1400 0.27 Binding ≤ 10μM
KIT-1-E Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3600 0.25 Binding ≤ 10μM
PGFRA-1-E Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic Eukaryotes 2000 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FGFR3_HUMAN P22607 Fibroblast Growth Factor Receptor 3, Human 1400 0.27 Binding ≤ 10μM
PGFRA_HUMAN P16234 Platelet-derived Growth Factor Receptor Alpha, Human 2000 0.27 Binding ≤ 10μM
KIT_HUMAN P10721 Stem Cell Growth Factor Receptor, Human 2500 0.26 Binding ≤ 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) 4.88 11.35 -93.75 4 5 2 56 406.574 7 ↓

Parameters Provided:

ring.id = 39771
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 = 39771 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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