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ZINC 12

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Quick Search ZINC ID or SMILES

Synonyms (10)
Vendors (2)
Annotations (6)
Representations (1)
Notes (0)
Targets (6)
Clustered (6)
Reactome (2)
Rings (0)
Analogs (0)

ZINC04208821

4208821

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
November 15^th, 2005	52	No

Popular Name: TMPyP4 TMPyP4

Find On: PubMed — Wikipedia — Google

Other Names:

(4,4',4'',4'''-(21H,23H)-Porphine-5,10,15,20-tetrayl)tetrakis(1-methylpyridinium); (4,4',4'',4'''-(21H,23H)-porphine-5,10,15,20- tetrayl)tetrakis(1-methylpyridinium); 5,10,15,20-tetra-(N-methyl-4-pyridyl)porphyrin; 5,10,15,20-tetrakis(methyl-4-pyridyl)-21

5,10,15,20-tetrakis(1-methylpyridinium-4-yl)porphyrin; Mesotetra(4-N-methylpyridyl)porphine; Tetrakis(N-methyl-4-pyridino)porphine; meso-Tetrakis(2-N-methylpyridyl)porphine; meso-Tetrakis(N-methyl-4-pyridinium)phenyl porphyrin; tetra(4-N-methylpyridyl)por

5,10,15,20-tetrakis(N-methylpyridinium-4-yl)-21H,23H-porphine tetrakis(p-toluenesulfonate); TMPyP4 tetratosylate; TMPyP4 tosylate; meso-tetrakis(N-methyl-4-pyridyl)porphine tetratosylate salt

meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate)

meso-tetrakis(N-methyl-4-pyridyl)porphine(4+)

SMILES:

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-6.37	24.54	-432.11	4	8	6	75	680.86	4	↓ MOL2 SDF SMILES Flexibase

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TERT-1-E	Telomerase Reverse Transcriptase (cluster #1 Of 2), Eukaryotic	Eukaryotes	740	0.17	Binding ≤ 10μM
TERT-1-E	Telomerase Reverse Transcriptase (cluster #1 Of 2), Eukaryotic	Eukaryotes	8900	0.14	Binding ≤ 10μM
Z80166-4-O	HT-29 (Colon Adenocarcinoma Cells) (cluster #4 Of 12), Other	Other	4500	0.14	Functional ≤ 10μM
Z80224-5-O	MCF7 (Breast Carcinoma Cells) (cluster #5 Of 14), Other	Other	6100	0.14	Functional ≤ 10μM
Z81138-3-O	ScN2a (Scrapie-infected Neuroblastoma Cells) (cluster #3 Of 3), Other	Other	130	0.19	Functional ≤ 10μM
Z81247-7-O	HeLa (Cervical Adenocarcinoma Cells) (cluster #7 Of 9), Other	Other	3000	0.15	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
TERT_HUMAN	O14746	Telomerase Reverse Transcriptase, Human	550	0.17	Binding ≤ 1μM
TERT_HUMAN	O14746	Telomerase Reverse Transcriptase, Human	10000	0.13	Binding ≤ 10μM
Z81247	Z81247	HeLa (Cervical Adenocarcinoma Cells)	3000	0.15	Functional ≤ 10μM
Z80166	Z80166	HT-29 (Colon Adenocarcinoma Cells)	4500	0.14	Functional ≤ 10μM
Z80224	Z80224	MCF7 (Breast Carcinoma Cells)	6100	0.14	Functional ≤ 10μM
Z81138	Z81138	ScN2a (Scrapie-infected Neuroblastoma Cells)	130	0.19	Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description	Species
formation of the beta-catenin:TCF transactivating complex	Homo sapiens (TERT_HUMAN)
Telomere Extension By Telomerase	Homo sapiens (TERT_HUMAN)

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

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

Synonyms (10)
Vendors (2)
Annotations (6)
Representations (1)
Notes (0)
Targets (6)
Clustered (6)
Reactome (2)
Rings (0)
Analogs (0)