ID: ALA2348500

Max Phase: Preclinical

Molecular Formula: C6H14BNO4

Molecular Weight: 174.99

Molecule Type: Small molecule

Representations

Canonical SMILES:  NC(CCCCB(O)O)C(=O)O

Standard InChI:  InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)

Standard InChI Key:  HFKKMXCOJQIYAH-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 174.99

Molecular Weight (Monoisotopic): 175.1016

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. Golebiowski A, Paul Beckett R, Van Zandt M, Ji MK, Whitehouse D, Ryder TR, Jagdmann E, Andreoli M, Mazur A, Padmanilayam M, Cousido-Siah A, Mitschler A, Ruiz FX, Podjarny A, Schroeter H..  (2013)  2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.,  23  (7): [PMID:23453840] [10.1016/j.bmcl.2013.02.024]

Source

Source(1):

• Scientific Literature