N-[(4-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-ethyl]-1H-indole-2-carboxamide

ID: ALA5290720

Chembl Id: CHEMBL5290720

Max Phase: Preclinical

Molecular Formula: C24H26ClN3O2

Molecular Weight: 423.94

Names and Identifiers

Canonical SMILES:  O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1cc2ccccc2[nH]1)NC1CCCCC1

Standard InChI:  InChI=1S/C24H26ClN3O2/c25-19-12-10-17(11-13-19)15-28(16-23(29)26-20-7-2-1-3-8-20)24(30)22-14-18-6-4-5-9-21(18)27-22/h4-6,9-14,20,27H,1-3,7-8,15-16H2,(H,26,29)

Standard InChI Key:  CRTGTKRROZUQTQ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5290720

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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: 423.94

Molecular Weight (Monoisotopic): 423.1714

AlogP: 4.91

#Rotatable Bonds: 6

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: ┄

CX Basic pKa: ┄

CX LogP: 4.31

CX LogD: 4.31

Aromatic Rings: 3

Heavy Atoms: 30

QED Weighted: 0.59

Np Likeness Score: -1.57

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