Details of the Drug

General Information of Drug (ID: DMIH38V)

Drug Name
ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID
Synonyms
alpha-hydroxyfarnesylphosphonic acid; HFPA; MONZTFSZTWQCKH-IJFRVEDASA-N; 140633-12-1; 148796-53-6; alpha-Hydroxyfarnesylphosphonic aicd; alpha-hydroxy Farnesyl Phosphonic Acid; AC1NS45W; C15H27O4P; MolPort-003-941-743; HMS3649I13; 1609AH; .alpha.-hydroxy Farnesyl Phosphonic Acid; RT-011376; C-28812; SR-01000946574; J-008515; SR-01000946574-1; L-704272; 1-Hydroxy-3,7,11-trimethyl-2E,6E,10-dodecatriene-1-phosphonic acid; [1-Hydroxy-(E,E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]phosphonic acid
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) 302.35
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H27O4P
IUPAC Name
[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid
Canonical SMILES
CC(=CCC/C(=C/CC/C(=C/C(O)P(=O)(O)O)/C)/C)C
InChI
InChI=1S/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,11,15-16H,5-6,8,10H2,1-4H3,(H2,17,18,19)/b13-9+,14-11+
InChIKey
MONZTFSZTWQCKH-IJFRVEDASA-N
Cross-matching ID
PubChem CID
5353399
CAS Number
148796-53-6
DrugBank ID
DB07895
TTD ID
D0TC4Z

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
CAAX farnesyltransferase beta (FNTB) TT7WZIJ FNTB_HUMAN Inhibitor [1]
Farnesyl protein transferase (Ftase) TTXQKM3 FNTA_HUMAN ; FNTB_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Farnesyl protein transferase (Ftase) DTT FNTB; FNTA 5.43E-01 -0.1 -0.4
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.