N,N'-(Propane-1,3-diyl)bis(8-hydroxy-2-imino-2H-chromene-3-carboxamide)

Names and Identifiers

Canonical SMILES: N=c1oc2c(O)cccc2cc1C(=O)NCCCNC(=O)c1cc2cccc(O)c2oc1=N

Standard InChI: InChI=1S/C23H20N4O6/c24-20-14(10-12-4-1-6-16(28)18(12)32-20)22(30)26-8-3-9-27-23(31)15-11-13-5-2-7-17(29)19(13)33-21(15)25/h1-2,4-7,10-11,24-25,28-29H,3,8-9H2,(H,26,30)(H,27,31)

Standard InChI Key: NKEWQXUSKCGFTE-UHFFFAOYSA-N

Molfile:

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M  END

Alternative Forms

Parent:

ALA1098763
N,N''-(Propane-1,3-diyl)bis(8-hydroxy-2-imino-2H-chromene-3-carboxamide)

Associated Targets(Human)

DNM2 Tchem Dynamin-2 (62 Activities)

Discover Target: DNM2

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

U2OS (164939 Activities)

Explore this target

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

Associated Targets(non-human)

Dnm1 Dynamin-1 (10 Activities)

Discover Target: Dnm1

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

Molecule Features

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

Drug Indications

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

Mechanisms of Action

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

Calculated Properties

Molecular Weight: 448.44	Molecular Weight (Monoisotopic): 448.1383	AlogP: 2.10	#Rotatable Bonds: 6
Polar Surface Area: 172.64	Molecular Species: NEUTRAL	HBA: 8	HBD: 6
#RO5 Violations: 1	HBA (Lipinski): 10	HBD (Lipinski): 6	#RO5 Violations (Lipinski): 1
CX Acidic pKa: 9.94	CX Basic pKa: 4.76	CX LogP: 2.18	CX LogD: 2.18
Aromatic Rings: 4	Heavy Atoms: 33	QED Weighted: 0.25	Np Likeness Score: -0.24

References

1. Hill TA, Mariana A, Gordon CP, Odell LR, Robertson MJ, McGeachie AB, Chau N, Daniel JA, Gorgani NN, Robinson PJ, McCluskey A.. (2010) Iminochromene inhibitors of dynamins I and II GTPase activity and endocytosis., 53 (10): [PMID:20426422] [10.1021/jm100119c]
2. (2012) Use of dynamin ring stabilizers,

Source

Source(2):