Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2991)
Drug Name
AOD-9604
Synonyms AOD 9604; AOD9604; Human GH (hGH) lipolytic fragment; Tyr-somatostatin (177-191)
Indication Obesity [ICD11: 5B80-5B81] Discontinued in Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 1817.1 Topological Polar Surface Area 767
Heavy Atom Count 126 Rotatable Bond Count 61
Hydrogen Bond Donor Count 30 Hydrogen Bond Acceptor Count 28
Cross-matching ID
PubChem CID
16131447
TTD Drug ID
D0O7XO
Formula
C78H125N23O23S2
Canonical SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)N
InChI
InChI=1S/C78H125N23O23S2/c1-9-41(8)62(101-68(115)47(18-14-28-86-78(83)84)91-63(110)45(79)29-38(2)3)75(122)100-61(40(6)7)74(121)94-49(23-25-56(80)105)67(114)98-55(37-126)72(119)92-46(17-13-27-85-77(81)82)66(113)96-53(35-103)71(118)99-60(39(4)5)73(120)93-48(24-26-59(108)109)64(111)87-33-58(107)90-52(34-102)70(117)97-54(36-125)65(112)88-32-57(106)89-50(30-42-15-11-10-12-16-42)69(116)95-51(76(123)124)31-43-19-21-44(104)22-20-43/h10-12,15-16,19-22,38-41,45-55,60-62,102-104,125-126H,9,13-14,17-18,23-37,79H2,1-8H3,(H2,80,105)(H,87,111)(H,88,112)(H,89,106)(H,90,107)(H,91,110)(H,92,119)(H,93,120)(H,94,121)(H,95,116)(H,96,113)(H,97,117)(H,98,114)(H,99,118)(H,100,122)(H,101,115)(H,108,109)(H,123,124)(H4,81,82,85)(H4,83,84,86)/t41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-,61-,62-/m0/s1
InChIKey
GNOVCDMBTHSXBH-BPXGDYAESA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
CRSVEGSCG DM017181 N. A. Unclear - Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008232 AOD-9604 CRSVEGSCG Unclear - Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A7 (CYP3A7) DME0015 Homo sapiens
CP3A7_HUMAN
1.14.14.1
[2]
References
1 Emerging drugs for obesity: linking novel biological mechanisms to pharmaceutical pipelines. Expert Opin Emerg Drugs. 2005 Aug;10(3):643-60.
2 Identification of Selective CYP3A7 and CYP3A4 Substrates and Inhibitors Using a High-Throughput Screening Platform. Front Pharmacol. 2022 Jul 1;13:899536. doi: 10.3389/fphar.2022.899536.
3 Detection and in vitro metabolism of AOD9604

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