cis-N-Acetyl-2-(p-tolyl)-4-(alpha-chloroacetyl)-(R)-thiazolidine

ID: ALA3277557

Chembl Id: CHEMBL3277557

PubChem CID: 90679856

Max Phase: Preclinical

Molecular Formula: C14H16ClNO2S

Molecular Weight: 297.81

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

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

Standard InChI:  InChI=1S/C14H16ClNO2S/c1-9-3-5-11(6-4-9)14-16(10(2)17)12(8-19-14)13(18)7-15/h3-6,12,14H,7-8H2,1-2H3/t12-,14+/m0/s1

Standard InChI Key:  CJENTINQYMHODT-GXTWGEPZSA-N

Associated Targets(non-human)

TA3 (100 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 297.81Molecular Weight (Monoisotopic): 297.0590AlogP: 2.77#Rotatable Bonds: 3
Polar Surface Area: 37.38Molecular Species: NEUTRALHBA: 3HBD:
#RO5 Violations: HBA (Lipinski): 3HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: 2.77CX LogD: 2.77
Aromatic Rings: 1Heavy Atoms: 19QED Weighted: 0.81Np Likeness Score: -0.49

References

1. Paul B, Korytnyk W..  (1976)  Cysteine derivatives with reactive groups as potential antitumor agents.,  19  (8): [PMID:966244] [10.1021/jm00230a004]

Source