N1,N4-bis(9-oxo-9,10-dihydroacridin-2-yl)succinamide

ID: ALA5280208

Chembl Id: CHEMBL5280208

Max Phase: Preclinical

Molecular Formula: C30H22N4O4

Molecular Weight: 502.53

Names and Identifiers

Canonical SMILES:  O=C(CCC(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc2[nH]c3ccccc3c(=O)c2c1

Standard InChI:  InChI=1S/C30H22N4O4/c35-27(31-17-9-11-25-21(15-17)29(37)19-5-1-3-7-23(19)33-25)13-14-28(36)32-18-10-12-26-22(16-18)30(38)20-6-2-4-8-24(20)34-26/h1-12,15-16H,13-14H2,(H,31,35)(H,32,36)(H,33,37)(H,34,38)

Standard InChI Key:  RRMOGJUANGHNMW-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5280208

   ---

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: 502.53

Molecular Weight (Monoisotopic): 502.1641

AlogP: 5.03

#Rotatable Bonds: 5

Polar Surface Area: 123.92

Molecular Species: NEUTRAL

HBA: 4

HBD: 4

#RO5 Violations: 2

HBA (Lipinski): 8

HBD (Lipinski): 4

#RO5 Violations (Lipinski): 2

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: 6.92

CX LogD: 6.92

Aromatic Rings: 6

Heavy Atoms: 38

QED Weighted: 0.25

Np Likeness Score: -0.49

References

1. Al-Najjar BO, Abbas MA, Sibai OA, Saqallah FG, Al-Kabariti AY..  (2023)  QSAR, structure-based pharmacophore modelling and biological evaluation of novel platelet ADP receptor (P2Y₁₂) antagonist.,  14  (2.0): [PMID:36846363] [10.1039/d2md00285j]

Source

Source(1):

• Scientific Literature