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
TTD ID
D0GD5G

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.