(3-boronopropyl)phosphonic acid

ID: ALA5275507

Chembl Id: CHEMBL5275507

Max Phase: Preclinical

Molecular Formula: C3H10BO5P

Molecular Weight: 167.89

Names and Identifiers

Canonical SMILES:  O=P(O)(O)CCCB(O)O

Standard InChI:  InChI=1S/C3H10BO5P/c5-4(6)2-1-3-10(7,8)9/h5-6H,1-3H2,(H2,7,8,9)

Standard InChI Key:  BEMHGRRBKBCTPH-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5275507

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 167.89

Molecular Weight (Monoisotopic): 168.0359

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. Kesharwani S, Sundriyal S..  (2021)  Non-hydroxamate inhibitors of 1-deoxy-d-xylulose 5-phosphate reductoisomerase (DXR): A critical review and future perspective.,  213  [PMID:33303239] [10.1016/j.ejmech.2020.113055]

Source

Source(1):

• Scientific Literature