JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

྾

N-(4-(dimethylamino)phenyl)-2-(1H-indol-3-yl)thiazole-4-carboxamide

ID: ALA3618271

Chembl Id: CHEMBL3618271

PubChem CID: 137028290

Max Phase: Preclinical

Molecular Formula: C20H18N4OS

Molecular Weight: 362.46

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CN(C)c1ccc(NC(=O)c2csc(-c3c[nH]c4ccccc34)n2)cc1

Standard InChI: InChI=1S/C20H18N4OS/c1-24(2)14-9-7-13(8-10-14)22-19(25)18-12-26-20(23-18)16-11-21-17-6-4-3-5-15(16)17/h3-12,21H,1-2H3,(H,22,25)

Standard InChI Key: YPAYXJUKQCZONY-UHFFFAOYSA-N

Bacillus subtilis (32866 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

Pseudomonas putida (467 Activities)

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

Natural Product: No	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: 362.46	Molecular Weight (Monoisotopic): 362.1201	AlogP: 4.61	#Rotatable Bonds: 4
Polar Surface Area: 61.02	Molecular Species: NEUTRAL	HBA: 4	HBD: 2
#RO5 Violations: 0	HBA (Lipinski): 5	HBD (Lipinski): 2	#RO5 Violations (Lipinski): 0
CX Acidic pKa: 13.62	CX Basic pKa: 4.56	CX LogP: 4.34	CX LogD: 4.34
Aromatic Rings: 4	Heavy Atoms: 26	QED Weighted: 0.56	Np Likeness Score: -1.61

1. Tantak MP, Wang J, Singh RP, Kumar A, Shah K, Kumar D.. (2015) 2-(3'-Indolyl)-N-arylthiazole-4-carboxamides: Synthesis and evaluation of antibacterial and anticancer activities., 25 (19): [PMID:26298501] [10.1016/j.bmcl.2015.07.105]

Source(1):