Details of the Drug

General Information of Drug (ID: DMR2YPF)

Drug Name

ALG-1001

Indication

Disease Entry	ICD 11	Status	REF
Diabetic macular edema	9B71.02	Phase 2	[1]
------------------------------------------------------------------------------------

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 5

Molecular Weight (mw)

637.7

Logarithm of the Partition Coefficient (xlogp)

-8.1

Rotatable Bond Count (rotbonds)

17

Hydrogen Bond Donor Count (hbonddonor)

10

Hydrogen Bond Acceptor Count (hbondacc)

13

Chemical Identifiers

Formula: C22H39N9O11S
IUPAC Name: (2S)-1-[(2S,3R)-2-[[(2R)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-sulfopropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid
Canonical SMILES: C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)O
InChI: InChI=1S/C22H39N9O11S/c1-11(32)17(20(37)31-7-3-5-14(31)21(38)39)30-19(36)13(10-43(40,41)42)29-16(34)9-27-18(35)12(28-15(33)8-23)4-2-6-26-22(24)25/h11-14,17,32H,2-10,23H2,1H3,(H,27,35)(H,28,33)(H,29,34)(H,30,36)(H,38,39)(H4,24,25,26)(H,40,41,42)/t11-,12+,13+,14+,17+/m1/s1
InChIKey: MYZAXBZLEILEBR-RVFOSREFSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Vascular endothelial growth factor (VEGF)	TT9HKJA	VEGFA_HUMAN ; VEGFB_HUMAN ; VEGFC_HUMAN ; VEGFD_HUMAN	Modulator	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Clinical pipeline report, company report or official report of Allegro Ophthalmics.
2	Future therapies of wet age-related macular degeneration. J Ophthalmol. 2015;2015:138070.