UCSF
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Analogs

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Popular Name: 3-Guanidino-1-methylbenzo(f)quinazoline hydrochloride; AI3-60149; Benzo(f)quinazoline, 3-guanidino-1-methyl-, hydrochloride; Guanidine, (1-methylbenzo(f)quinazolin-3-yl)-, monohydrochloride (8CI); LS-40162; NSC 96641 3-Guanidino-1-methylbenzo(f)quin…

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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) 2.04 6.24 -14.59 4 5 0 90 251.293 1 ↓

Analogs

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Popular Name: 1-benzyl-3-(p-tolyl)benzo[f]quinazoline 1-benzyl-3-(p-tolyl)benzo[f]quin…

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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) 7.46 14.99 -10.65 0 2 0 26 360.46 3 ↓

Analogs

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Popular Name: N'-benzo[f]quinazolin-6-yl-N,N-dimethyl-ethane-1,2-diamine N'-benzo[f]quinazolin-6-yl-N,N-d…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103205-3-O A431 (cluster #3 Of 4), Other Other 4300 0.38 Functional ≤ 10μM
Z80156-4-O HL-60 (Promyeloblast Leukemia Cells) (cluster #4 Of 12), Other Other 4300 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z103205 Z103205 A431 4300 0.38 Functional ≤ 10μM
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 4300 0.38 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) 2.51 7.82 -46.07 2 4 1 42 267.356 4 ↓
Hi High (pH 8-9.5) 2.51 5.34 -9.24 1 4 0 41 266.348 4 ↓

Parameters Provided:

ring.id = 53182
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 = 53182 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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