KRN5500

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8VH13L5K20

Structure
InChI Key LQIPDFIUPOYMPR-RMOMFDTOSA-N
Smile CCCCCCCCC/C=C/C=C/C(=O)NCC(=O)N[C@@H]1C(O)[C@H](O)C(Nc2ncnc3[nH]cnc23)OC1[C@H](O)CO
InChI
InChI=1S/C28H43N7O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(38)29-14-20(39)34-21-23(40)24(41)28(42-25(21)18(37)15-36)35-27-22-26(31-16-30-22)32-17-33-27/h10-13,16-18,21,23-25,28,36-37,40-41H,2-9,14-15H2,1H3,(H,29,38)(H,34,39)(H2,30,31,32,33,35)/b11-10+,13-12+/t18-,21-,23?,24+,25?,28?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H43N7O7
Molecular Weight 589.69
AlogP 0.42
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 17.0
Polar Surface Area 214.84
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 42.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neuralgia 2 D009437 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2074765
FDA SRS 8VH13L5K20
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