6-(3-amino-3-oxopropyl)-12-(3-(1-(12-(3-amino-3-oxopropyl)-7-(4-aminobutyl)-9-(4-bromophenethylcarbamoyl)-17-(4-bromophenyl)-6-(4-carboxy-2-((S)-pyrrolidine-2-carboxamido)butyl)-10-(2-carboxyethyl)-5,13-dioxo-4,6,9,12,14-pentaazaheptadecyl)cyclohexyl)propylcarbamoyl)-11-(4-aminobutyl)-9-(4-bromophenethylcarbamoyl)-1-(4-bromophenyl)-8-(2-carboxyethyl)-14-formamido-5-oxo-4,6,9,12-tetraazaheptadecan-17-oic acid

ID: ALA4524093

PubChem CID: 44472970

Max Phase: Preclinical

Molecular Formula: C53H82Br2N10O9

Molecular Weight: 1163.11

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)[C@@H]1CCCN1)C(=O)NCCCC1CCCCC1

Standard InChI: InChI=1S/C53H82Br2N10O9/c54-41-19-15-39(16-20-41)12-7-31-59-51(72)63(34-28-47(57)66)36-45(24-26-49(69)70)65(53(74)61-33-27-40-17-21-42(55)22-18-40)37-44(13-4-5-29-56)64(52(73)60-32-6-11-38-9-2-1-3-10-38)35-43(23-25-48(67)68)62-50(71)46-14-8-30-58-46/h15-22,38,43-46,58H,1-14,23-37,56H2,(H2,57,66)(H,59,72)(H,60,73)(H,61,74)(H,62,71)(H,67,68)(H,69,70)/t43?,44?,45?,46-/m0/s1

Standard InChI Key: ASQXURAXPYLIJU-DTPPOCSKSA-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: 1163.11	Molecular Weight (Monoisotopic): 1160.4633	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: ┄

Names and Identifiers

Alternative Forms

Associated Targets(Human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source