Details of the Drug

General Information of Drug (ID: DM18R6J)

Drug Name
(Z)-2-Methyl-3-tetradecyl-but-2-enedioic acid
Synonyms
Chaetomellic acid A; CHEMBL103955; 148796-51-4; AC1MI36H; (Z)-2-Methyl-3-tetradecyl-but-2-enedioic acid; ZINC14276303; BDBM50059863; (Z)-2-methyl-3-tetradecylbut-2-enedioic acid; 2-Butenedioic acid, 2-methyl-3-tetradecyl-, (Z)-
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): 2 Molecular Weight (mw) 326.5
Logarithm of the Partition Coefficient (xlogp) 7.2
Rotatable Bond Count (rotbonds) 15
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H34O4
IUPAC Name
(Z)-2-methyl-3-tetradecylbut-2-enedioic acid
Canonical SMILES
CCCCCCCCCCCCCC/C(=C(\\C)/C(=O)O)/C(=O)O
InChI
InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(22)23)16(2)18(20)21/h3-15H2,1-2H3,(H,20,21)(H,22,23)/b17-16-
InChIKey
ULSDRNDLXFVDED-MSUUIHNZSA-N
Cross-matching ID
PubChem CID
3037595
CAS Number
148796-51-4
TTD ID
D0VD2C

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 Ras farnesyltransferase: a new therapeutic target. J Med Chem. 1997 Sep 12;40(19):2971-90.