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

྾

N-[4-(4-Butylamino-butylamino)-butyl]-N'-(4-ethylamino-butyl)-butane-1,4-diamine

ID: ALA134809

Chembl Id: CHEMBL134809

PubChem CID: 44354861

Max Phase: Preclinical

Molecular Formula: C22H51N5

Molecular Weight: 385.69

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CCCCNCCCCNCCCCNCCCCNCCCCNCC

Standard InChI: InChI=1S/C22H51N5/c1-3-5-14-24-16-8-9-18-26-20-12-13-22-27-21-11-10-19-25-17-7-6-15-23-4-2/h23-27H,3-22H2,1-2H3

Standard InChI Key: RIFXFNNRCXNXEJ-UHFFFAOYSA-N

Parent:

ALA134809
N'-[4-[4-[4-(butylamino)butylamino]butylamino]butyl]-N-ethylbutane-1,4-diamine

LNCaP (8286 Activities)

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

DU-145 (51482 Activities)

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

DuPro (144 Activities)

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

PC-3 (62116 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: 385.69	Molecular Weight (Monoisotopic): 385.4144	AlogP: 2.88	#Rotatable Bonds: 24
Polar Surface Area: 60.15	Molecular Species: BASE	HBA: 5	HBD: 5
#RO5 Violations: ┄	HBA (Lipinski): 5	HBD (Lipinski): 5	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: 11.42	CX LogP: 2.34	CX LogD: -12.53
Aromatic Rings: ┄	Heavy Atoms: 27	QED Weighted: 0.17	Np Likeness Score: -0.08

1. Reddy VK, Sarkar A, Valasinas A, Marton LJ, Basu HS, Frydman B.. (2001) cis-Unsaturated analogues of 3,8,13,18,23-pentaazapentacosane (BE-4-4-4-4): synthesis and growth inhibitory effects on human prostate cancer cell lines., 44 (3): [PMID:11462980] [10.1021/jm000310s]

Source(1):