CH-1504 L-ISOMER

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN

Structure
InChI Key NAWXUBYGYWOOIX-SFHVURJKSA-N
Smile C=C(C[C@H](NC(=O)c1ccc(CCc2ccc3nc(N)nc(N)c3c2)cc1)C(=O)O)C(=O)O
InChI
InChI=1S/C23H23N5O5/c1-12(21(30)31)10-18(22(32)33)26-20(29)15-7-4-13(5-8-15)2-3-14-6-9-17-16(11-14)19(24)28-23(25)27-17/h4-9,11,18H,1-3,10H2,(H,26,29)(H,30,31)(H,32,33)(H4,24,25,27,28)/t18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H23N5O5
Molecular Weight 449.47
AlogP 1.79
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 9.0
Polar Surface Area 181.52
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Arthritis, Rheumatoid 2 D001172 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4802147
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