General Information of Drug (ID: DMT2KZ7)

Drug Name
AF-05
Synonyms AF-5; Anxiolytic (anxiety), Institute of Materia Medica
Indication
Disease Entry ICD 11 Status REF
Anxiety disorder 6B00-6B0Z Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C51H58N2O13
Canonical SMILES
CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NOC(C5=CC=CC=C5)C6=CC=CC=C6)C
InChI
1S/C51H58N2O13/c1-26-17-16-18-27(2)50(61)53-40-35(25-52-66-48(33-19-12-10-13-20-33)34-21-14-11-15-22-34)44(58)37-38(45(40)59)43(57)31(6)47-39(37)49(60)51(8,65-47)63-24-23-36(62-9)28(3)46(64-32(7)54)30(5)42(56)29(4)41(26)55/h10-26,28-30,36,41-42,46,48,55-59H,1-9H3,(H,53,61)/b17-16+,24-23+,27-18-,52-25+/t26-,28+,29+,30+,36-,41-,42+,46+,51-/m0/s1
InChIKey
ZGOGYVJXKPGNCZ-SDDCJGPJSA-N
Cross-matching ID
PubChem CID
135483856
CAS Number
38330-15-3
TTD ID
D0B0ZR

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800031488)