(5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylene]-3-[(3,4-difluorophenyl)methyl]imidazolidine-2,4-dione

ID: ALA5267044

Chembl Id: CHEMBL5267044

Max Phase: Preclinical

Molecular Formula: C20H14ClF2N3O2

Molecular Weight: 401.80

Names and Identifiers

Canonical SMILES:  Cc1c(Cl)ccc2c(/C=C3\NC(=O)N(Cc4ccc(F)c(F)c4)C3=O)c[nH]c12

Standard InChI:  InChI=1S/C20H14ClF2N3O2/c1-10-14(21)4-3-13-12(8-24-18(10)13)7-17-19(27)26(20(28)25-17)9-11-2-5-15(22)16(23)6-11/h2-8,24H,9H2,1H3,(H,25,28)/b17-7-

Standard InChI Key:  OEXMEVPQEPHTAQ-IDUWFGFVSA-N

Alternative Forms

1. Parent:

   

   ALA5267044

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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: 401.80

Molecular Weight (Monoisotopic): 401.0743

AlogP: 4.50

#Rotatable Bonds: 3

Polar Surface Area: 65.20

Molecular Species: NEUTRAL

HBA: 2

HBD: 2

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): 2

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 9.58

CX Basic pKa: ┄

CX LogP: 4.13

CX LogD: 4.12

Aromatic Rings: 3

Heavy Atoms: 28

QED Weighted: 0.50

Np Likeness Score: -1.50

References

1. Zhang S, Lou J, Li Y, Zhou F, Yan Z, Lyu X, Zhao Y..  (2021)  Recent Progress and Clinical Development of Inhibitors that Block MDM4/p53 Protein-Protein Interactions.,  64  (15.0): [PMID:34286973] [10.1021/acs.jmedchem.1c00940]

Source

Source(1):

• Scientific Literature