NA

ID: ALA4444880

Chembl Id: CHEMBL4444880

Max Phase: Preclinical

Molecular Formula: C64H109GaN19O22P3

Molecular Weight: 1659.33

Molecule Type: Unknown

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1659.33

Molecular Weight (Monoisotopic): 1657.6463

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. Reichart F, Maltsev OV, Kapp TG, Räder AFB, Weinmüller M, Marelli UK, Notni J, Wurzer A, Beck R, Wester HJ, Steiger K, Di Maro S, Di Leva FS, Marinelli L, Nieberler M, Reuning U, Schwaiger M, Kessler H..  (2019)  Selective Targeting of Integrin αvβ8 by a Highly Active Cyclic Peptide.,  62  (4): [PMID:30657681] [10.1021/acs.jmedchem.8b01588]

Source

Source(1):

• Scientific Literature