ID: ALA219473

Max Phase: Preclinical

Molecular Formula: C9H13BN2O4

Molecular Weight: 224.03

Molecule Type: Small molecule

Representations

Canonical SMILES:  N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)NO

Standard InChI:  InChI=1S/C9H13BN2O4/c11-8(9(13)12-16)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-16H,5,11H2,(H,12,13)/t8-/m0/s1

Standard InChI Key:  LZINDUZMXORYST-QMMMGPOBSA-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: 224.03

Molecular Weight (Monoisotopic): 224.0968

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. Gu X, Wang Y, Kumar A, Ye G, Parang K, Sun G..  (2006)  Design and evaluation of hydroxamate derivatives as metal-mediated inhibitors of a protein tyrosine kinase.,  49  (25): [PMID:17149882] [10.1021/jm061058c]

Source

Source(1):

• Scientific Literature