Details of the Drug

General Information of Drug (ID: DM45HVR)

Drug Name

PT-307

Synonyms

149486-26-0; Thiourea, N-(2-(2,6-difluorophenyl)ethyl)-N'-2-thiazolyl-; Thiourea, N-[2-(2,6-difluorophenyl)ethyl]-N'-2-thiazolyl-; PETT Analog 23; PT-307; PETT di-F deriv.; AC1MHDKC; CHEMBL252136; SCHEMBL6961866; BDBM1916; DTXSID50164303; 1-[2-(2,6-difluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea; 1-(2-Thiazolyl)-3-[2,6-difluorophenethyl]thiourea; N-(2-(2,6-Difluorophenethyl))-N -(2-thiazolyl)thiourea; 1-[2-(2,6-difluorophenyl)ethyl]-3-thiazol-2-yl-thiourea

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

299.4

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C12H11F2N3S2
IUPAC Name: 1-[2-(2,6-difluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
Canonical SMILES: C1=CC(=C(C(=C1)F)CCNC(=S)NC2=NC=CS2)F
InChI: InChI=1S/C12H11F2N3S2/c13-9-2-1-3-10(14)8(9)4-5-15-11(18)17-12-16-6-7-19-12/h1-3,6-7H,4-5H2,(H2,15,16,17,18)
InChIKey: BLZZAJBLYALRNA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3001093
CAS Number: 149486-26-0
TTD ID: D08TVG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Reverse transcriptase (HIV RT)	TT84ETX	POL_HV1B1	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Phenethylthiazolethiourea (PETT) compounds, a new class of HIV-1 reverse transcriptase inhibitors. 1. Synthesis and basic structure-activity relati... J Med Chem. 1995 Dec 8;38(25):4929-36.