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(2RS,4R)-2-(4-Hydroxyphenyl)thiazolidine-4-carboxylic acid

ID: ALA584591

Chembl Id: CHEMBL584591

PubChem CID: 13946769

Max Phase: Preclinical

Molecular Formula: C10H11NO3S

Molecular Weight: 225.27

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: O=C(O)[C@@H]1CSC(c2ccc(O)cc2)N1

Standard InChI: InChI=1S/C10H11NO3S/c12-7-3-1-6(2-4-7)9-11-8(5-15-9)10(13)14/h1-4,8-9,11-12H,5H2,(H,13,14)/t8-,9?/m0/s1

Standard InChI Key: TWPYJYQNZHPNGQ-IENPIDJESA-N

Parent:

ALA584591
(4R)-2-(4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid

Bacillus subtilis (32866 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Pseudomonas aeruginosa (123386 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACP5 Tartrate-resistant acid phosphatase type 5 (16 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Natural Product: Yes	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Molecular Weight: 225.27	Molecular Weight (Monoisotopic): 225.0460	AlogP: 1.18	#Rotatable Bonds: 2
Polar Surface Area: 69.56	Molecular Species: ACID	HBA: 4	HBD: 3
#RO5 Violations: ┄	HBA (Lipinski): 4	HBD (Lipinski): 3	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 2.60	CX Basic pKa: 6.49	CX LogP: -0.81	CX LogD: -1.60
Aromatic Rings: 1	Heavy Atoms: 15	QED Weighted: 0.70	Np Likeness Score: 0.34

1. Song ZC, Ma GY, Lv PC, Li HQ, Xiao ZP, Zhu HL.. (2009) Synthesis, structure and structure-activity relationship analysis of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acid derivatives as potential antibacterial agents., 44 (10): [PMID:19423200] [10.1016/j.ejmech.2009.04.014]
2. Hussein WM, Feder D, Schenk G, Guddat LW, McGeary RP.. (2018) Purple acid phosphatase inhibitors as leads for osteoporosis chemotherapeutics., 157 [PMID:30107365] [10.1016/j.ejmech.2018.08.004]

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