Details of the Drug

General Information of Drug (ID: DM76AUO)

Drug Name

Folate gamma-L-phenylalaninehydroxamic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 4

Molecular Weight (mw)

603.6

Logarithm of the Partition Coefficient (xlogp)

-0.5

Rotatable Bond Count (rotbonds)

13

Hydrogen Bond Donor Count (hbonddonor)

8

Hydrogen Bond Acceptor Count (hbondacc)

11

Chemical Identifiers

Formula: C28H29N9O7
IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
Canonical SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NO)NC(=O)CC[C@@H](C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)NC(=N4)N
InChI: InChI=1S/C28H29N9O7/c29-28-35-23-22(26(41)36-28)32-18(14-31-23)13-30-17-8-6-16(7-9-17)24(39)34-19(27(42)43)10-11-21(38)33-20(25(40)37-44)12-15-4-2-1-3-5-15/h1-9,14,19-20,30,44H,10-13H2,(H,33,38)(H,34,39)(H,37,40)(H,42,43)(H3,29,31,35,36,41)/t19-,20-/m0/s1
InChIKey: WYBGJFMKGROIBY-PMACEKPBSA-N