Details of the Drug

General Information of Drug (ID: DM1C4IG)

Drug Name
ICA-1
Synonyms PKC-iota inhibitor (cancer), Inhibition therapeutics
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 336.24
Logarithm of the Partition Coefficient (xlogp) -3.2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C10H17N4O7P
IUPAC Name
[(1S,2S,3R,4S)-4-(5-amino-4-carbamoylimidazol-1-yl)-2,3-dihydroxycyclopentyl]methyl dihydrogen phosphate
Canonical SMILES
C1[C@H]([C@@H]([C@@H]([C@H]1N2C=NC(=C2N)C(=O)N)O)O)COP(=O)(O)O
InChI
InChI=1S/C10H17N4O7P/c11-9-6(10(12)17)13-3-14(9)5-1-4(7(15)8(5)16)2-21-22(18,19)20/h3-5,7-8,15-16H,1-2,11H2,(H2,12,17)(H2,18,19,20)/t4-,5-,7-,8+/m0/s1
InChIKey
VFGPDCAAUMRRSL-BKMCOVHNSA-N
Cross-matching ID
PubChem CID
71510744
TTD ID
D0B8NW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Protein kinase C iota (PRKCI) TTWJTHX KPCI_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800027592)
2 A novel PKC- inhibitor abrogates cell proliferation and induces apoptosis in neuroblastoma. Int J Biochem Cell Biol. 2011 May;43(5):784-94.