JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

྾

1-{3-[4-(3-Amino-propylamino)-butylamino]-propyl}-3-hydroxy-2-methyl-1H-pyridin-4-one

ID: ALA150911

Chembl Id: CHEMBL150911

PubChem CID: 11266903

Max Phase: Preclinical

Molecular Formula: C16H30N4O2

Molecular Weight: 310.44

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: Cc1c(O)c(=O)ccn1CCCNCCCCNCCCN

Standard InChI: InChI=1S/C16H30N4O2/c1-14-16(22)15(21)6-13-20(14)12-5-11-19-9-3-2-8-18-10-4-7-17/h6,13,18-19,22H,2-5,7-12,17H2,1H3

Standard InChI Key: AGWMHJAKUAQQIP-UHFFFAOYSA-N

Parent:

ALA150911
1-(12-Amino-4,9-diazadodecyl)-2-methyl-3-hydroxy-4(1h)-pyridinone

L1210 (27553 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Odc1 Ornithine decarboxylase (263 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Amd1 S-adenosylmethionine decarboxylase 1 (47 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Sat1 Spermidine/spermine N(1)-acetyltransferase 1 (20 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Molecular Weight: 310.44	Molecular Weight (Monoisotopic): 310.2369	AlogP: 0.56	#Rotatable Bonds: 12
Polar Surface Area: 92.31	Molecular Species: BASE	HBA: 6	HBD: 4
#RO5 Violations: ┄	HBA (Lipinski): 6	HBD (Lipinski): 5	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 11.89	CX Basic pKa: 10.81	CX LogP: -0.53	CX LogD: -6.78
Aromatic Rings: 1	Heavy Atoms: 22	QED Weighted: 0.42	Np Likeness Score: -0.31

1. Bergeron RJ, McManis JS, Franklin AM, Yao H, Weimar WR.. (2003) Polyamine-iron chelator conjugate., 46 (25): [PMID:14640556] [10.1021/jm0302694]
2. Bergeron RJ, Bharti N, Wiegand J, McManis JS, Yao H, Prokai L.. (2005) Polyamine-vectored iron chelators: the role of charge., 48 (12): [PMID:15943485] [10.1021/jm048974f]
3. Yu Y, Kalinowski DS, Kovacevic Z, Siafakas AR, Jansson PJ, Stefani C, Lovejoy DB, Sharpe PC, Bernhardt PV, Richardson DR, Richardson DR.. (2009) Thiosemicarbazones from the old to new: iron chelators that are more than just ribonucleotide reductase inhibitors., 52 (17): [PMID:19601577] [10.1021/jm900552r]

Source(1):