N-(5-(5-methoxybenzo[d]thiazol-2-yl)pyridin-3-yl)acetamide

ID: ALA5288595

Chembl Id: CHEMBL5288595

Max Phase: Preclinical

Molecular Formula: C15H13N3O2S

Molecular Weight: 299.36

Names and Identifiers

Canonical SMILES:  COc1ccc2sc(-c3cncc(NC(C)=O)c3)nc2c1

Standard InChI:  InChI=1S/C15H13N3O2S/c1-9(19)17-11-5-10(7-16-8-11)15-18-13-6-12(20-2)3-4-14(13)21-15/h3-8H,1-2H3,(H,17,19)

Standard InChI Key:  JLUXIHDOQQZMIZ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5288595

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 299.36

Molecular Weight (Monoisotopic): 299.0728

AlogP: 3.33

#Rotatable Bonds: 3

Polar Surface Area: 64.11

Molecular Species: NEUTRAL

HBA: 5

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 13.45

CX Basic pKa: 3.29

CX LogP: 2.00

CX LogD: 2.00

Aromatic Rings: 3

Heavy Atoms: 21

QED Weighted: 0.81

Np Likeness Score: -2.08

References

1. Lindberg MF, Deau E, Arfwedson J, George N, George P, Alfonso P, Corrionero A, Meijer L..  (2023)  Comparative Efficacy and Selectivity of Pharmacological Inhibitors of DYRK and CLK Protein Kinases.,  66  (6): [PMID:36876904] [10.1021/acs.jmedchem.2c02068]

Source

Source(1):

• Scientific Literature