(R)-(7-chloroimidazo[1,5-a]pyridin-6-yl)(cyclohexyl)methanol

ID: ALA5218853

Chembl Id: CHEMBL5218853

PubChem CID: 168298299

Max Phase: Preclinical

Molecular Formula: C14H17ClN2O

Molecular Weight: 264.76

Names and Identifiers

Canonical SMILES:  O[C@@H](c1cn2cncc2cc1Cl)C1CCCCC1

Standard InChI:  InChI=1S/C14H17ClN2O/c15-13-6-11-7-16-9-17(11)8-12(13)14(18)10-4-2-1-3-5-10/h6-10,14,18H,1-5H2/t14-/m1/s1

Standard InChI Key:  GBDNBIWJDAZLGP-CQSZACIVSA-N

Alternative Forms

1. Parent:

   

   ALA5218853

   ---

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: 264.76

Molecular Weight (Monoisotopic): 264.1029

AlogP: 3.60

#Rotatable Bonds: 2

Polar Surface Area: 37.53

Molecular Species: NEUTRAL

HBA: 3

HBD: 1

#RO5 Violations: 0

HBA (Lipinski): 3

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 13.87

CX Basic pKa: 7.32

CX LogP: 2.42

CX LogD: 2.24

Aromatic Rings: 2

Heavy Atoms: 18

QED Weighted: 0.90

Np Likeness Score: -0.60

References

1. Zhang Y, Hu Z, Zhang J, Ren C, Wang Y..  (2022)  Dual-target inhibitors of indoleamine 2, 3 dioxygenase 1 (Ido1): A promising direction in cancer immunotherapy.,  238  [PMID:35696861] [10.1016/j.ejmech.2022.114524]

Source

Source(1):

• Scientific Literature