General Information of Drug (ID: DM71I53)

Drug Name
APC-100
Indication
Disease Entry ICD 11 Status REF
Prostate cancer 2C82.0 Phase 1/2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 220.31
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H20O2
IUPAC Name
2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-ol
Canonical SMILES
CC1=C(C2=C(CCC(O2)(C)C)C(=C1O)C)C
InChI
InChI=1S/C14H20O2/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h15H,6-7H2,1-5H3
InChIKey
SEBPXHSZHLFWRL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
99479
CAS Number
950-99-2
UNII
7G73627R36
DrugBank ID
DB13111
TTD ID
D0N7DQ
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Androgen receptor (AR) TTS64P2 ANDR_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 Prostate cancer
ICD Disease Classification 2C82.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Androgen receptor (AR) DTT AR 2.13E-01 -0.07 -0.11
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 2011 Pipeline of Adamis Pharmaceuticals.