Drug Information

Drug (ID: DG01657) and It's Reported Resistant Information

• Name: ReACp53
• Synonyms: ReACp53
• Formula: 104
• IsoSMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N
• InChI: InChI=1S/C108H206N52O24/c1-11-55(7)75(92(178)154-72(52-54(5)6)90(176)158-77(57(9)161)94(180)151-68(34-22-48-141-107(128)129)88(174)156-76(56(8)12-2)93(179)159-78(58(10)162)95(181)155-71(51-53(3)4)89(175)153-70(97(183)184)37-38-74(163)164)157-91(177)73-36-24-50-160(73)96(182)69(35-23-49-142-108(130)131)152-87(173)67(33-21-47-140-106(126)127)150-86(172)66(32-20-46-139-105(124)125)149-85(171)65(31-19-45-138-104(122)123)148-84(170)64(30-18-44-137-103(120)121)147-83(169)63(29-17-43-136-102(118)119)146-82(168)62(28-16-42-135-101(116)117)145-81(167)61(27-15-41-134-100(114)115)144-80(166)60(26-14-40-133-99(112)113)143-79(165)59(109)25-13-39-132-98(110)111/h53-73,75-78,161-162H,11-52,109H2,1-10H3,(H,143,165)(H,144,166)(H,145,167)(H,146,168)(H,147,169)(H,148,170)(H,149,171)(H,150,172)(H,151,180)(H,152,173)(H,153,175)(H,154,178)(H,155,181)(H,156,174)(H,157,177)(H,158,176)(H,159,179)(H,163,164)(H,183,184)(H4,110,111,132)(H4,112,113,133)(H4,114,115,134)(H4,116,117,135)(H4,118,119,136)(H4,120,121,137)(H4,122,123,138)(H4,124,125,139)(H4,126,127,140)(H4,128,129,141)(H4,130,131,142)/t55-,56-,57+,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-/m0/s1
• InChIKey: IEWOQULQWITCAT-CMEOGBNNSA-N
• PubChem CID: 121596091

Type(s) of Resistant Mechanism of This Drug

  UAPP: Unusual Activation of Pro-survival Pathway

Drug Resistance Data Categorized by Their Corresponding Diseases

ICD-02: Benign/in-situ/malignant neoplasm

Solid tumour/cancer [ICD-11: 2A00-2F9Z]

Drug Sensitivity Data Categorized by Their Corresponding Mechanisms

Unusual Activation of Pro-survival Pathway (UAPP)

Key Molecule: Cellular tumor antigen p53 (TP53) [1]

• Sensitive Disease: Solid tumour/cancer [ICD-11: 2A00-2F9Z]
• Molecule Alteration: Missense mutation; p.R175H (c.524G>A)
• Wild Type Structure: Method: X-ray diffraction; Resolution: 2.37 Å; PDB: 6VR1
• Mutant Type Structure: Method: X-ray diffraction; Resolution: 2.38 Å; PDB: 6VR5

RMSD: 0.18; TM score: 0.89418; Amino acid change: R175H

• Experimental Note: Identified from the Human Clinical Data
• In Vitro Model: S1 GODL cells; N.A.; Homo sapiens (Human); N.A.
• In Vivo Model: Immunocompromised NSG mouse xenograft model; Mus musculus
• Experiment for Drug Resistance: In vitro 3D organoid assay

Ovarian cancer [ICD-11: 2C73]

Drug Sensitivity Data Categorized by Their Corresponding Mechanisms

Unusual Activation of Pro-survival Pathway (UAPP)

Key Molecule: Cellular tumor antigen p53 (TP53) [1]

• Sensitive Disease: Ovarian cancer [ICD-11: 2C73.0]
• Molecule Alteration: Missense mutation; p.Y234C (c.701A>G)
• Wild Type Structure: Method: X-ray diffraction; Resolution: 2.05 Å; PDB: 2OCJ
• Mutant Type Structure: Method: X-ray diffraction; Resolution: 1.38 Å; PDB: 8QWO

RMSD: 0.47; TM score: 0.99189; Amino acid change: Y234C

• Experimental Note: Identified from the Human Clinical Data
• In Vitro Model: S1 GODL cells; N.A.; Homo sapiens (Human); N.A.
• In Vivo Model: Immunocompromised NSG mouse xenograft model; Mus musculus
• Experiment for Drug Resistance: In vitro 3D organoid assay

Key Molecule: Cellular tumor antigen p53 (TP53) [1]

• Sensitive Disease: Ovarian cancer [ICD-11: 2C73.0]
• Molecule Alteration: Missense mutation; p.Y327L (c.979_980delTAinsCT)
• Experimental Note: Identified from the Human Clinical Data
• In Vitro Model: S1 GODL cells; N.A.; Homo sapiens (Human); N.A.
• In Vivo Model: Immunocompromised NSG mouse xenograft model; Mus musculus
• Experiment for Drug Resistance: In vitro 3D organoid assay

Key Molecule: Cellular tumor antigen p53 (TP53) [1]

• Sensitive Disease: Ovarian cancer [ICD-11: 2C73.0]
• Molecule Alteration: Missense mutation; p.R248Q (c.743G>A)
• Experimental Note: Identified from the Human Clinical Data
• In Vitro Model: S1 GODL cells; N.A.; Homo sapiens (Human); N.A.
• In Vivo Model: Immunocompromised NSG mouse xenograft model; Mus musculus
• Experiment for Drug Resistance: In vitro 3D organoid assay

Head and neck cancer [ICD-11: 2D42]

Drug Sensitivity Data Categorized by Their Corresponding Mechanisms

Unusual Activation of Pro-survival Pathway (UAPP)

Key Molecule: Cellular tumor antigen p53 (TP53) [1]

• Sensitive Disease: Head and neck cancer [ICD-11: 2D42.0]
• Molecule Alteration: Missense mutation; p.R175H (c.524G>A)
• Wild Type Structure: Method: X-ray diffraction; Resolution: 2.37 Å; PDB: 6VR1
• Mutant Type Structure: Method: X-ray diffraction; Resolution: 2.38 Å; PDB: 6VR5

RMSD: 0.18; TM score: 0.89418; Amino acid change: R175H

• Experimental Note: Identified from the Human Clinical Data
• In Vitro Model: S1 GODL cells; N.A.; Homo sapiens (Human); N.A.
• In Vivo Model: Immunocompromised NSG mouse xenograft model; Mus musculus
• Experiment for Drug Resistance: In vitro 3D organoid assay

References

• Ref 1: A Designed Inhibitor of p53 Aggregation Rescues p53 Tumor Suppression in Ovarian CarcinomasCancer Cell. 2016 Jan 11;29(1):90-103. doi: 10.1016/j.ccell.2015.12.002. Epub 2015 Dec 31.