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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL296641
CHEMBL296641
Compound Name ANTALARMIN
ChEMBL Synonyms Antalarmin
Max Phase 0
Trade Names
Molecular Formula C24H34N4

Additional synonyms for CHEMBL296641 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCN(CC)c1nc(C)nc2c1c(C)c(C)n2c3c(C)cc(C)cc3C
Standard InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(2 ...
Download InChI
Standard InChI Key IXPROWGEHNVJOY-UHFFFAOYSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL296641. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL296641

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
378.6 378.2783 6.75 6 33.95 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.1 6.17 5.91 3 28 0.48

Compound Cross References

ChemSpider ChemSpider:IXPROWGEHNVJOY-UHFFFAOYSA-N
PubChem SID: 29217488 SID: 533085
Wikipedia Antalarmin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL296641



ACToR 157284-96-3
BindinDB 50074501
Guide to Pharmacology 3489
IBM Patent System F41397E083E975DB736D6C69C39AB015
IBM Patents EP2167094A2 US20040034882 WO2008083204A2 WO2005087797A1 US20090017024 EP1942879A1 EP1853295A2 US20100249138 WO2002058704A1 US7494979 US7141546 WO2004064748A2 US20100184806 US20040082597 WO2009036340A2 WO2004113552A2 WO2007062168A2 US20080188457 US7678808 US20060241134 WO2008128126A1 US7851588 US20020156089 EP1991212A1 EP2170930A2 EP1379873B1 US20060025339 US20090305993 WO2009015028A1 WO2009006413A1 US20090233882 US20050004155 WO2005074931A1 EP1644043A1 US20060094658 US7192924 EP2026813A2 US20090005431 US6670140 WO2009070546A1 US6777404 US7678363 WO2008106429A2 WO2000068269A1 WO2008030651A1 EP1996218A2 EP2266990A1 US20100197579 EP1572679B1 US7063954 US20080167291 US20050171095 WO2009018169A1 WO2008036678A2 US20030148957 EP2129683A2 EP2125017A2 WO2007100775A2 EP2001495A2 EP1937236A2 EP1379873A2 US20040101911 US20080312247 EP1940441A2 US20100216734 US20040204564 US20100009983 EP1465921B1 US20090325949 US20050085479 EP1359916A1 US20100093635 US5646152 WO2008157240A1 US20090054319 EP2258357A2 US20060058217 US20080108574 WO2008086483A2 US20050209250 US20100278743 US7238699 US20090203669 US7244746 US6051578 US6765008 WO2006102069A2 US7192923 EP1572679A2 WO2003062277A1 US20100173926 EP1730172A1 US20090124793 US20050049176 US20060198842 US20070208029 WO2008039863A2 WO2004047866A2 WO2007025177A2 EP2141989A1
Nikkaji J1.099.376H
PubChem 177990
PubChem: Drugs of the Future 12014909
PubChem: Thomson Pharma 14829248
SureChEMBL SCHEMBL466243
ZINC ZINC01539136

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IXPROWGEHNVJOY-UHFFFAOYSA-N spacer
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