ID: ALA5195392

Max Phase: Preclinical

Molecular Formula: C27H25BClN5O4

Molecular Weight: 529.79

Representations

Canonical SMILES:  COc1ccc2c(c1)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCc1ccc(B(O)O)cc1)c1nnc(C)n1-2

Standard InChI:  InChI=1S/C27H25BClN5O4/c1-16-32-33-27-23(14-25(35)30-15-17-3-7-19(8-4-17)28(36)37)31-26(18-5-9-20(29)10-6-18)22-13-21(38-2)11-12-24(22)34(16)27/h3-13,23,36-37H,14-15H2,1-2H3,(H,30,35)/t23-/m0/s1

Standard InChI Key:  BVNONNONERTTSN-QHCPKHFHSA-N

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

Properties

Molecular Weight: 529.79

Molecular Weight (Monoisotopic): 529.1688

AlogP:

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Molecular Species:

HBA:

HBD:

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HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

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QED Weighted:

Np Likeness Score:

References

1. Kargbo RB..  (2022)  Therapeutic and Effective CURE-PRO Molecules for E3 Ligase-Mediated Targeted Protein Degradation.,  13  (8.0): [PMID:35978695] [10.1021/acsmedchemlett.2c00315]

Source

Source(1):

• Scientific Literature