Detailed Information for C00512

Basic information about inhibitors

IPAD-DB ID C00512
Name The CBD homologue cannabidivarin (CBDV)
Category Natural compounds
2D Structure
3D Structure
Molecular Formula -
Molecular Weight -
IUPAC Name -
InChI -
InChIKey -
Canonical SMILES -
PubChem CID -
DrugBank Accession Number -
CAS Registry Number -

Biological activity data

Ki -
EC50 -
IC50 -
Inhibition -
Toxicity -
ROS(reactive oxygen species) -
Metal Chelating -
BBB(blood-brain barrier) -
Target Protein
Effects -
Research Models The Aβ pentamer
Main Source -
Ref. Link

Physicochemical properties

Molecular Weight(Computed by SwissADME) 286.41
Hac(Computed by SwissADME) 21
Volume(Computed by ADMETlab 2.0) 324.465
Density(Computed by ADMETlab 2.0) 0.882
nRing(Computed by ADMETlab 2.0) 2
MaxRing(Computed by ADMETlab 2.0) 6
nHet(Computed by ADMETlab 2.0) 2
fChar(Computed by ADMETlab 2.0) 0
nRig(Computed by ADMETlab 2.0) 13
Flexibility(Computed by ADMETlab 2.0) 0.308
Stero Centers(Computed by ADMETlab 2.0) 2
LogS(Computed by ADMETlab 2.0) -2.991
LogD(Computed by ADMETlab 2.0) 4.251

ADMET properties

logP(Computed by ADMETlab 2.0)
TPSA(Computed by SwissADME) 40.46 Ų
Hbond Acceptor(Computed by SwissADME) 2
Hbond Donor(Computed by SwissADME) 2
Rotatable Bonds(Computed by SwissADME) 4

Pharmacokinetics

GI Absorption(Computed by SwissADME) High
BBB(blood-brain barrier) Permeant(Computed by SwissADME) Yes
P-gp Substrate(Computed by SwissADME) No
CYP1A2 Inhibitor(Computed by SwissADME) No
CYP2C19 Inhibitor(Computed by SwissADME) Yes
CYP2C9 Inhibitor(Computed by SwissADME) Yes
CYP2D6 Inhibitor(Computed by SwissADME) No
CYP3A4 Inhibitor(Computed by SwissADME) Yes
log Kp(Skin Permeation)(Computed by SwissADME) -4.18 cm/s

Druglikeness

Lipinski(Computed by SwissADME) Yes, 0 violation
Ghose(Computed by SwissADME) Yes
Veber(Computed by SwissADME) Yes
Egan(Computed by SwissADME) Yes
Muegge(Computed by SwissADME) No, 1 violation: XLOGP3>5
Bioavailability Score(Computed by SwissADME) 0.55