DrugMapper

Search structure


InChI Key	AMLYAMJWYAIXIA-VWNVYAMZSA-N
Smile	CC(C)[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C
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

Action	Mechanism of Action	Reference
ANTAGONIST	Integrin alpha-V/beta-3 antagonist

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Transferase	-	-	-	-	7.764-16.21
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb	-	-	-	-	-20.27-1.95
Membrane receptor	-	0.4-1400	-	1	-
Other nuclear protein	-	-	-	-	14.1
Unclassified protein	-	-	-	-	2.6

Mesh Heading	Maximum Phase	Mesh ID	Reference
Glioblastoma	3	D005909	ClinicalTrials
Glioblastoma	3	D005909	ClinicalTrials
Oligodendroglioma	2	D009837	ClinicalTrials
Carcinoma, Non-Small-Cell Lung	2	D002289	ClinicalTrials
Gliosarcoma	2	D018316	ClinicalTrials
Melanoma	2	D008545	ClinicalTrials
Prostatic Neoplasms, Castration-Resistant	2	D064129	ClinicalTrials
Astrocytoma	2	D001254	ClinicalTrials
Brain Neoplasms	2	D001932	ClinicalTrials
Paraganglioma	2	D010235	ClinicalTrials
Astrocytoma	2	D001254	ClinicalTrials
Leukemia	1	D007938	ClinicalTrials
Sarcoma	1	D012509	ClinicalTrials
Carcinoma, Squamous Cell	1	D002294	ClinicalTrials
Breast Neoplasms, Male	1	D018567	ClinicalTrials
Myelodysplastic Syndromes	1	D009190	ClinicalTrials
Neoplasms	1	D009369	ClinicalTrials
Multiple Myeloma	1	D009101	ClinicalTrials
Myeloproliferative Disorders	1	D009196	ClinicalTrials
Kidney Diseases	1	D007674	ClinicalTrials
Diffuse Intrinsic Pontine Glioma	1	D000080443	ClinicalTrials
Central Nervous System Neoplasms	1	D016543	ClinicalTrials

Level 3

Level 4

Level 5

Level 6

Indication

Mechanism of Action

Primary Target

Target Level

CILENGITIDE


Active Pharmaceutical Ingredients (APIs) Scaffolds	Exact Similarity SubStructure	Threshold (%) >= 70