Phenelzine | MolMeDB

Phenelzine

2D Structure

3D Structure

Source:

General
Identifier	MM00404
SMILES	NNCCc1ccccc1 Presented in the original dataset.
InChIKey	RMUCZJUITONUFY-UHFFFAOYSA-N Automatically obtained from RDkit software.
MW [Da]	136.2 Automatically obtained from RDkit software.
LogP	0.69 Automatically obtained from RDkit software.

Links
PubChem	3675 Presented in the original dataset.
DrugBank	DB00780 Presented in the original dataset.
ChEBI	8060 Presented in the original dataset.
PDB	N/A
ChEMBL	CHEMBL1089 Presented in the original dataset.

Similar entries

Similarity: 0.6238

Similarity to Ethylbenzene

Tanimoto metric	0.6238
Cosine metric	0.7898
Dice metric	0.7683

Total passive interactions

Phenelzine	8
Ethylbenzene	6

Total active interactions

Phenelzine	2
Ethylbenzene	0

Dextroamphetamine

Similarity: 0.6148

Similarity to Dextroamphetamine

Tanimoto metric	0.6148
Cosine metric	0.7635
Dice metric	0.7615

Total passive interactions

Phenelzine	8
Dextroamphetamine	3

Total active interactions

Phenelzine	2
Dextroamphetamine	6

Similarity: 0.5685

Similarity to Tyramine

Tanimoto metric	0.5685
Cosine metric	0.73
Dice metric	0.7249

Total passive interactions

Phenelzine	8
Tyramine	1

Total active interactions

Phenelzine	2
Tyramine	1

+27 more

No data

Methods

Computed

Mechanistic

Q-based

QSAR

Experimental

Permeability

No data

Target	Uniprot ID	Type	pKm	pEC₅₀	pK_i	pIC₅₀	Primary reference	Secondary reference	Note
Hide empty columns:
SLC6A3	Q01959	Inhibitor			5.1		Tatsumi M, Groshan K, Blakely RD, Richelson E.: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol, Volume 340 (2-3), 1997 Tatsumi M, Groshan K, Blakely RD, Richelson E.: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol, Volume 340 (2-3), 1997	Harding SD, Armstrong JF, Faccenda E, Southan C, Alexander SPH, Davenport AP, Spedding M, Davies JA.: The IUPHAR/BPS Guide to PHARMACOLOGY in 2024. Nucleic Acids Res, Volume 52 (d1), D1438-D1449, 2024 Harding SD, Armstrong JF, Faccenda E, Southan C, Alexander SPH, Davenport AP, Spedding M, Davies JA.: The IUPHAR/BPS Guide to PHARMACOLOGY in 2024. Nucleic Acids Res, Volume 52 (d1), D1438-D1449, 2024
SLC6A4	P31645	Inhibitor			5		Tatsumi M, Groshan K, Blakely RD, Richelson E.: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol, Volume 340 (2-3), 1997 Tatsumi M, Groshan K, Blakely RD, Richelson E.: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol, Volume 340 (2-3), 1997	Harding SD, Armstrong JF, Faccenda E, Southan C, Alexander SPH, Davenport AP, Spedding M, Davies JA.: The IUPHAR/BPS Guide to PHARMACOLOGY in 2024. Nucleic Acids Res, Volume 52 (d1), D1438-D1449, 2024 Harding SD, Armstrong JF, Faccenda E, Southan C, Alexander SPH, Davenport AP, Spedding M, Davies JA.: The IUPHAR/BPS Guide to PHARMACOLOGY in 2024. Nucleic Acids Res, Volume 52 (d1), D1438-D1449, 2024

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