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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL184238
CHEMBL184238
Compound Name
ChEMBL Synonyms URB597
Max Phase 0
Trade Names
Molecular Formula C20H22N2O3

Additional synonyms for CHEMBL184238 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)c1cccc(c1)c2cccc(OC(=O)NC3CCCCC3)c2
Standard InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18 ...
Download InChI
Standard InChI Key ROFVXGGUISEHAM-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL184238

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
338.4 338.163 3.97 5 81.41 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.74 - 2.87 2.87 2 25 0.87

Structural Alerts

There are 2 structural alerts for CHEMBL184238. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ROFVXGGUISEHAM-UHFFFAOYSA-N
PubChem SID: 174007488 SID: 29217673 SID: 47204541
Wikipedia URB597

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL184238



ACToR 546141-08-6
BindingDB 26739
eMolecules 1529142
EPA CompTox Dashboard DTXSID70203046
FDA SRS PX47LB88FO
Guide to Pharmacology 4339
IBM Patent System 27A743A2F77B7AD735AA9EAEFB24C676
Mcule MCULE-2988226495
MolPort MolPort-002-019-681
Nikkaji J1.860.860J
PubChem 1383884
PubChem: Thomson Pharma 14875581
Selleck urb597
SureChEMBL SCHEMBL93842
ZINC ZINC01238258

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ROFVXGGUISEHAM-UHFFFAOYSA-N spacer
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