Details of the Drug

General Information of Drug (ID: DMNC2A5)

Drug Name

Tosyl-D-Proline

Synonyms

TOSYL-D-PROLINE; TOS-D-PRO-OH; 110771-95-4; N-tosyl-D-proline; CHEMBL334226; TPR; (2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid; 1f4e; AC1L9I3X; SCHEMBL2636629; ZINC63280; CTK8E6464; DTXSID60332192; CGPHGPCHVUSFFA-LLVKDONJSA-N; MolPort-014-930-952; BDBM50149243; 7792AH; AKOS006162662; DB02752; 1-[(4-methylphenyl)sulfonyl]-D-proline; AS-46804; D-Proline,1-[(4-methylphenyl)sulfonyl]-; D-Proline, 1-[(4-methylphenyl)sulfonyl]-; RT-016051; K-0696; (2R)-1-Tosylpyrrolidine-2beta-carboxylic acid; J-002477

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

269.32

Logarithm of the Partition Coefficient (xlogp)

1.6

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C12H15NO4S
IUPAC Name: (2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]2C(=O)O
InChI: InChI=1S/C12H15NO4S/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15)/t11-/m1/s1
InChIKey: CGPHGPCHVUSFFA-LLVKDONJSA-N

Cross-matching ID

PubChem CID: 445504
CAS Number: 110771-95-4
DrugBank ID: DB02752
TTD ID: D07LML

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Candida Thymidylate synthase (Candi TMP1)	TTU6BFZ	TYSY_CANAL	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.