Details of the Drug

General Information of Drug (ID: DM60Y8M)

Drug Name

1-Adamantan-1-ylmethyl-3-thiazol-2-yl-thiourea

Synonyms

CHEMBL149161; AC1MHEHW; 1-Adamantan-1-ylmethyl-3-thiazol-2-yl-thiourea; SCHEMBL6281905; PHI-535; BDBM50097038; 1-(1-adamantylmethyl)-3-thiazol-2-yl-thiourea; 1-(1-Adamantylmethyl)-3-(2-thiazolyl)thiourea; 1-(1-adamantylmethyl)-3-(1,3-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)

307.5

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H21N3S2
IUPAC Name: 1-(1-adamantylmethyl)-3-(1,3-thiazol-2-yl)thiourea
Canonical SMILES: C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=NC=CS4
InChI: InChI=1S/C15H21N3S2/c19-13(18-14-16-1-2-20-14)17-9-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12H,3-9H2,(H2,16,17,18,19)
InChIKey: YVDWMGNODCFVJL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3003031
TTD ID: D06ZGS

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	Anti-HIV activity of aromatic and heterocyclic thiazolyl thiourea compounds. Bioorg Med Chem Lett. 2001 Feb 26;11(4):523-8.