4,4'-(2,2'-(14,16-bis(2-carboxyethyl)-15-(3-cyclohexylpropanoyl)-11,19-dioxo-10,12,15,18,20-pentaazaspiro[5.17]tricosane-12,18-diyl)bis(6-aminohexane-2,1-diyl))bis((4-bromophenethylcarbamoyl)azanediyl)bis(5-(1-(3-amino-3-oxopropyl)-3-(3-(4-bromophenyl)propyl)ureido)pentanoic acid)

ID: ALA4524063

PubChem CID: 44472972

Max Phase: Preclinical

Molecular Formula: C57H89Br2N9O9

Molecular Weight: 1204.20

Molecule Type: Unknown

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: NCCCCC(CN(C(=O)NCCc1ccc(Br)cc1)C(CCC(=O)O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)N(CC(CCC(=O)O)NC(=O)CCC1CCCCC1)C(=O)NCCCC1CCCCC1

Standard InChI: InChI=1S/C57H89Br2N9O9/c58-46-23-18-44(19-24-46)16-10-35-62-55(75)66(38-33-51(61)69)40-50(28-31-54(73)74)68(57(77)64-37-32-45-20-25-47(59)26-21-45)41-49(17-7-8-34-60)67(56(76)63-36-9-15-42-11-3-1-4-12-42)39-48(27-30-53(71)72)65-52(70)29-22-43-13-5-2-6-14-43/h18-21,23-26,42-43,48-50H,1-17,22,27-41,60H2,(H2,61,69)(H,62,75)(H,63,76)(H,64,77)(H,65,70)(H,71,72)(H,73,74)

Standard InChI Key: ZENXIMUXWXBCEI-UHFFFAOYSA-N

Molfile:

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M  END

Associated Targets(Human)

MDM2 Tchem p53-binding protein Mdm-2 (4545 Activities)

Discover Target: MDM2

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

MDM4 Tchem Protein Mdm4 (729 Activities)

Discover Target: MDM4

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: Unknown	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1204.20	Molecular Weight (Monoisotopic): 1201.5150	AlogP: ┄	#Rotatable Bonds: ┄
Polar Surface Area: ┄	Molecular Species: ┄	HBA: ┄	HBD: ┄
#RO5 Violations: ┄	HBA (Lipinski): ┄	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: ┄	CX LogP: ┄	CX LogD: ┄
Aromatic Rings: ┄	Heavy Atoms: ┄	QED Weighted: ┄	Np Likeness Score: ┄

4,4'-(2,2'-(14,16-bis(2-carboxyethyl)-15-(3-cyclohexylpropanoyl)-11,19-dioxo-10,12,15,18,20-pentaazaspiro[5.17]tricosane-12,18-diyl)bis(6-aminohexane-2,1-diyl))bis((4-bromophenethylcarbamoyl)azanediyl)bis(5-(1-(3-amino-3-oxopropyl)-3-(3-(4-bromophenyl)propyl)ureido)pentanoic acid)

Names and Identifiers

Alternative Forms

Associated Targets(Human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source