DAPORINAD

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Synonyms
Status
Molecule Category Free-form
UNII V71TF6V9M7

Structure

InChI Key KPBNHDGDUADAGP-VAWYXSNFSA-N
Smiles O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
InChI
InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29N3O2
Molecular Weight 391.52
AlogP 3.93
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 62.3
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Nicotinamide phosphoribosyltransferase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 540 - - -
Enzyme
- 0.0301-61 - 0.2-6 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
2.5-3.4 0.0301-946 - 0.2-6 -
Mus musculus
- 2.7-61 - - -

Target Conservation

Protein: Nicotinamide phosphoribosyltransferase
Description: Nicotinamide phosphoribosyltransferase
Organism : Homo sapiens
P43490 ENSG00000105835

Cross References

Resources Reference
ChEMBL CHEMBL566757
DrugBank DB12731
FDA SRS V71TF6V9M7
Guide to Pharmacology 7745
PDB DGB
PubChem 6914657
SureChEMBL SCHEMBL82368
ZINC ZINC000003828115
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