6-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-amine

ID: ALA5285923

Chembl Id: CHEMBL5285923

Max Phase: Preclinical

Molecular Formula: C23H29ClN4O

Molecular Weight: 412.97

Names and Identifiers

Canonical SMILES:  COc1ccc2nc3cc(Cl)ccc3c(NCCCCN3CCN(C)CC3)c2c1

Standard InChI:  InChI=1S/C23H29ClN4O/c1-27-11-13-28(14-12-27)10-4-3-9-25-23-19-7-5-17(24)15-22(19)26-21-8-6-18(29-2)16-20(21)23/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,25,26)

Standard InChI Key:  YTEBPTLBNZHXJI-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5285923

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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: 412.97

Molecular Weight (Monoisotopic): 412.2030

AlogP: 4.49

#Rotatable Bonds: 7

Polar Surface Area: 40.63

Molecular Species: BASE

HBA: 5

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 8.78

CX LogP: 3.87

CX LogD: 1.77

Aromatic Rings: 3

Heavy Atoms: 29

QED Weighted: 0.46

Np Likeness Score: -1.18

References

1. Ye W, Fan C, Fu K, Wang X, Lin J, Nian S, Liu C, Zhou W..  (2022)  The SAR and action mechanisms of autophagy inhibitors that eliminate drug resistance.,  244  [PMID:36283182] [10.1016/j.ejmech.2022.114846]

Source

Source(1):

• Scientific Literature