(Q1091921)

Cilengitide (English)

18 November 2016

chemical formula

C₂₇H₄₀N₈O₇

1 reference

Cilengitide (English)

18 November 2016

canonical SMILES

CC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N

1 reference

Cilengitide (English)

18 November 2016

isomeric SMILES

CC(C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N

1 reference

Cilengitide (English)

physically interacts with

18 November 2016

1 reference

Open Targets Platform

https://platform.opentargets.org/drug/CHEMBL429876

14 August 2023

reference URL

Integrin subunit beta 5

subject has role

antagonist

1 reference

Open Targets Platform

https://platform.opentargets.org/drug/CHEMBL429876

14 August 2023

reference URL

Integrin subunit beta 3

subject has role

antagonist

1 reference

Open Targets Platform

https://platform.opentargets.org/drug/CHEMBL429876

14 August 2023

reference URL

Identifiers

InChI

InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1

1 reference

Cilengitide (English)

18 November 2016

1 reference

Global Substance Registration System

Cilengitide (English)

18 November 2016

1 reference

UNII

4EDF46E4GI

cilengitide (English)

18 November 2016

1 reference

cilengitide (English)

18 November 2016

2 references

Cilengitide (English)

18 November 2016

ChEBI ID

177833

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1

1 reference

CILENGITIDE (English)

18 November 2016

2 references

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

DTXCID7024035

0 references

Guide to Pharmacology Ligand ID

6597

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

6597

cilengitide (English)

18 November 2016

Cilengitide

0 references

DrugBank ID

DB11890

1 reference

UNII

4EDF46E4GI

2 references

Global Substance Registration System

UNII

4EDF46E4GI

cilengitide (English)

18 November 2016