(4S)-5-[[2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S,2S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S,2R)-1-[[(1S)-5-amino-1-[[(1S,2S)-1-[[(1S,2R)-1-[[(1S)-2-amino-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]pentyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-methyl-propyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-4-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-oxo-pentanoic acid

ID: ALA5083589

PubChem CID: 166627741

Max Phase: Preclinical

Molecular Formula: C161H252N44O50S

Molecular Weight: 3636.11

Molecule Type: Unknown

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(C)C

Standard InChI: InChI=1S/C161H252N44O50S/c1-21-81(13)127(203-155(250)115(74-208)200-140(235)100(49-53-256-20)186-150(245)111(65-124(222)223)198-154(249)114(73-207)182-120(215)71-175-137(232)106(58-88-36-25-23-26-37-88)193-153(248)113(72-206)181-119(214)70-174-136(231)98(46-48-121(216)217)180-118(213)69-173-135(230)93(164)61-91-68-170-75-176-91)157(252)179-85(17)134(229)189-103(55-77(5)6)145(240)197-110(64-123(220)221)149(244)184-95(42-31-33-50-162)138(233)190-102(54-76(3)4)143(238)178-83(15)132(227)177-84(16)133(228)183-97(44-35-52-171-161(168)169)139(234)196-112(66-125(224)225)151(246)194-107(59-89-38-27-24-28-39-89)152(247)201-126(80(11)12)156(251)199-109(62-117(166)212)148(243)195-108(60-90-67-172-94-41-30-29-40-92(90)94)147(242)192-105(57-79(9)10)146(241)191-104(56-78(7)8)144(239)185-99(45-47-116(165)211)142(237)204-129(86(18)209)159(254)187-96(43-32-34-51-163)141(236)202-128(82(14)22-2)158(253)205-130(87(19)210)160(255)188-101(131(167)226)63-122(218)219/h23-30,36-41,67-68,75-87,93,95-115,126-130,172,206-210H,21-22,31-35,42-66,69-74,162-164H2,1-20H3,(H2,165,211)(H2,166,212)(H2,167,226)(H,170,176)(H,173,230)(H,174,231)(H,175,232)(H,177,227)(H,178,238)(H,179,252)(H,180,213)(H,181,214)(H,182,215)(H,183,228)(H,184,244)(H,185,239)(H,186,245)(H,187,254)(H,188,255)(H,189,229)(H,190,233)(H,191,241)(H,192,242)(H,193,248)(H,194,246)(H,195,243)(H,196,234)(H,197,240)(H,198,249)(H,199,251)(H,200,235)(H,201,247)(H,202,236)(H,203,250)(H,204,237)(H,205,253)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H4,168,169,171)/t81-,82-,83-,84-,85-,86+,87+,93-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,126-,127-,128-,129-,130-/m0/s1

Standard InChI Key: AYEQXACAEGGPLJ-ZESCQCPNSA-N

Molfile:

 
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M  END

Associated Targets(Human)

GIPR Tchem Gastric inhibitory polypeptide receptor (542 Activities)

Discover Target: GIPR

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

GLP2R Tclin Glucagon-like peptide 2 receptor (293 Activities)

Discover Target: GLP2R

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

Associated Targets(non-human)

MC3T3-E1 (421 Activities)

Explore this target

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

RAW264.7 (28094 Activities)

Explore this target

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

Mus musculus (284745 Activities)

Explore this target

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: 3636.11	Molecular Weight (Monoisotopic): 3633.8250	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)

Associated Targets(non-human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source