Pyrido[3,4-g]quinazolin-2-amine

ID: ALA3823505

Chembl Id: CHEMBL3823505

PubChem CID: 118988440

Max Phase: Preclinical

Molecular Formula: C11H8N4

Molecular Weight: 196.21

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  Nc1ncc2cc3cnccc3cc2n1

Standard InChI:  InChI=1S/C11H8N4/c12-11-14-6-9-3-8-5-13-2-1-7(8)4-10(9)15-11/h1-6H,(H2,12,14,15)

Standard InChI Key:  HTMYPIWEXZOFDM-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3823505

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 196.21

Molecular Weight (Monoisotopic): 196.0749

AlogP: 1.76

#Rotatable Bonds: 0

Polar Surface Area: 64.69

Molecular Species: NEUTRAL

HBA: 4

HBD: 1

#RO5 Violations: 0

HBA (Lipinski): 4

HBD (Lipinski): 2

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa: 4.78

CX LogP: 1.05

CX LogD: 1.05

Aromatic Rings: 3

Heavy Atoms: 15

QED Weighted: 0.56

Np Likeness Score: -0.83

References

1. Esvan YJ, Zeinyeh W, Boibessot T, Nauton L, Théry V, Knapp S, Chaikuad A, Loaëc N, Meijer L, Anizon F, Giraud F, Moreau P..  (2016)  Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.,  118  [PMID:27128181] [10.1016/j.ejmech.2016.04.004]

2. Haghighijoo Z, Zamani L, Moosavi F, Emami S..  (2022)  Therapeutic potential of quinazoline derivatives for Alzheimer's disease: A comprehensive review.,  227  [PMID:34742016] [10.1016/j.ejmech.2021.113949]

Source

Source(1):

• Scientific Literature