Details of the Drug

General Information of Drug (ID: DMDINX9)

Drug Name
H-KPPR-OH
Synonyms CHEMBL1091089; H-KPPR-OH
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): 3 Molecular Weight (mw) 496.6
Logarithm of the Partition Coefficient (xlogp) -5.6
Rotatable Bond Count (rotbonds) 13
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C22H40N8O5
IUPAC Name
(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Canonical SMILES
C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C22H40N8O5/c23-10-2-1-6-14(24)19(32)30-13-5-9-17(30)20(33)29-12-4-8-16(29)18(31)28-15(21(34)35)7-3-11-27-22(25)26/h14-17H,1-13,23-24H2,(H,28,31)(H,34,35)(H4,25,26,27)/t14-,15-,16-,17-/m0/s1
InChIKey
CKFCCXJQYNXYHI-QAETUUGQSA-N
Cross-matching ID
PubChem CID
15858500
ChEBI ID
CHEMBL1091089
TTD ID
D0GD5G
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Neuropilin-1 (NRP1) TTIPJCB NRP1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Small molecule inhibitors of the neuropilin-1 vascular endothelial growth factor A (VEGF-A) interaction. J Med Chem. 2010 Mar 11;53(5):2215-26.