UCSF

ZINC25540820

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 27 No

Popular Name: BRN 4211902; C19H21N5O3; LS-128928; N,N-Dimethyl-9-methoxy-5-nitropyrazolo(3,4,5-kl)acridine-2(6H)-propanamine; NSC 366140; NSC-366140; PD 115,934; PD 115934; PD-115934; PZA; Pyrazolo(3,4,5-kl)acridine-2(6H)-propanamine, N,N-dimethyl-9-methoxy-5-nitro-; p BRN 4211902; C19H21N5O3; LS-1289…

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Other Names:

MFCD00667221

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) 3.59 8.92 -73.42 1 8 0 91 367.409 6 ↓
Hi High (pH 8-9.5) 3.59 6.46 -46.76 0 8 -1 90 366.401 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80152-1-O HCT-8 (Ileocecal Adenocarcinoma) (cluster #1 Of 2), Other Other 136 0.36 Functional ≤ 10μM
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 424 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80152 Z80152 HCT-8 (Ileocecal Adenocarcinoma) 136 0.36 Functional ≤ 10μM
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 424 0.33 Functional ≤ 10μM

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