US9040663, 53

ID: ALA3663369

PubChem CID: 88287855

Max Phase: Preclinical

Molecular Formula: C50H69FN18O9

Molecular Weight: 1085.22

Molecule Type: Protein

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O

Standard InChI: InChI=1S/C50H69FN18O9/c1-27(70)63-35(13-7-19-59-49(53)54)43(73)65-36-14-6-18-58-41(71)17-16-34(42(52)72)64-46(76)39(22-29-24-61-33-12-5-3-10-31(29)33)67-44(74)37(15-8-20-60-50(55)56)66-47(77)38(21-28-9-2-4-11-32(28)51)68-48(78)40(69-45(36)75)23-30-25-57-26-62-30/h2-5,9-12,24-26,34-40,61H,6-8,13-23H2,1H3,(H2,52,72)(H,57,62)(H,58,71)(H,63,70)(H,64,76)(H,65,73)(H,66,77)(H,67,74)(H,68,78)(H,69,75)(H4,53,54,59)(H4,55,56,60)/t34-,35+,36-,37-,38+,39-,40-/m0/s1

Standard InChI Key: RDLAZLIJEHHWIX-BTFCHKKZSA-N

Molfile:

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M  END

Associated Targets(Human)

MC4R Tclin Melanocortin receptor 4 (10016 Activities)

Discover Target: MC4R

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

MC1R Tclin Melanocortin receptor 1 (2696 Activities)

Discover Target: MC1R

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: Protein	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: Protein

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1085.22	Molecular Weight (Monoisotopic): 1084.5479	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: ┄

US9040663, 53

Names and Identifiers

Alternative Forms

Associated Targets(Human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source