N-Ethyl-N'-(5-ethylamino-pentyl)-pentane-1,5-diamine

ID: ALA34420

Chembl Id: CHEMBL34420

PubChem CID: 9856236

Max Phase: Preclinical

Molecular Formula: C14H33N3

Molecular Weight: 243.44

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  CCNCCCCCNCCCCCNCC

Standard InChI:  InChI=1S/C14H33N3/c1-3-15-11-7-5-9-13-17-14-10-6-8-12-16-4-2/h15-17H,3-14H2,1-2H3

Standard InChI Key:  IXQGLCRJXHAMRD-UHFFFAOYSA-N

Alternative Forms

Associated Targets(non-human)

L1210 (27553 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Amd1 S-adenosylmethionine decarboxylase 1 (47 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Sat2 Spermidine/spermine N(1)-acetyltransferase (SAT) (56 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 243.44Molecular Weight (Monoisotopic): 243.2674AlogP: 2.14#Rotatable Bonds: 14
Polar Surface Area: 36.09Molecular Species: BASEHBA: 3HBD: 3
#RO5 Violations: HBA (Lipinski): 3HBD (Lipinski): 3#RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 11.15CX LogP: 1.84CX LogD: -7.02
Aromatic Rings: Heavy Atoms: 17QED Weighted: 0.41Np Likeness Score: -0.02

References

1. Bergeron RJ, Feng Y, Weimar WR, McManis JS, Dimova H, Porter C, Raisler B, Phanstiel O..  (1997)  A comparison of structure-activity relationships between spermidine and spermine analogue antineoplastics.,  40  (10): [PMID:9154970] [10.1021/jm960849j]

Source