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N-(4-chlorophenyl)-4-(2,6-dichlorophenyl)thiazol-2-amine

ID: ALA2270801

Chembl Id: CHEMBL2270801

PubChem CID: 76334150

Max Phase: Preclinical

Molecular Formula: C15H9Cl3N2S

Molecular Weight: 355.68

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: Clc1ccc(Nc2nc(-c3c(Cl)cccc3Cl)cs2)cc1

Standard InChI: InChI=1S/C15H9Cl3N2S/c16-9-4-6-10(7-5-9)19-15-20-13(8-21-15)14-11(17)2-1-3-12(14)18/h1-8H,(H,19,20)

Standard InChI Key: ZXBGBCVXFDJDNA-UHFFFAOYSA-N

Parent:

ALA2270801
N-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,3-thiazol-2-amine

Botrytis cinerea (4183 Activities)

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

ERG1 Squalene monooxygenase (20 Activities)

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

Trichophyton mentagrophytes (4846 Activities)

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

Pyricularia oryzae (1832 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: 355.68	Molecular Weight (Monoisotopic): 353.9552	AlogP: 6.51	#Rotatable Bonds: 3
Polar Surface Area: 24.92	Molecular Species: NEUTRAL	HBA: 3	HBD: 1
#RO5 Violations: 1	HBA (Lipinski): 2	HBD (Lipinski): 1	#RO5 Violations (Lipinski): 1
CX Acidic pKa: 13.02	CX Basic pKa: 2.06	CX LogP: 6.60	CX LogD: 6.60
Aromatic Rings: 3	Heavy Atoms: 21	QED Weighted: 0.58	Np Likeness Score: -1.85

1. KUMITA I, NODA K. (2001) Synthesis of Antifungal 2-Anilino-4-phenylthiazoles and Their Inhibitory Activities on Sterol Biosynthesis, 26 (2): [10.1584/jpestics.26.136]

Source(1):