ID: ALA3681383

Max Phase: Preclinical

Molecular Formula: C23H26ClN5O

Molecular Weight: 423.95

Molecule Type: Small molecule

Associated Items:

Representations

Canonical SMILES:  Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2nc(-c3cccnc3)cc2C)CC1

Standard InChI:  InChI=1S/C23H26ClN5O/c1-15-10-22(18-4-3-9-25-12-18)28-29(15)14-17-5-7-20(8-6-17)27-23(30)21-11-19(24)13-26-16(21)2/h3-4,9-13,17,20H,5-8,14H2,1-2H3,(H,27,30)/t17-,20-

Standard InChI Key:  FAZYIPVDSLLNSX-IRJFHVNHSA-N

Associated Targets(Human)

Corticotropin releasing factor receptor 2 399 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Corticotropin releasing factor receptor 1 2996 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Properties

Molecular Weight: 423.95Molecular Weight (Monoisotopic): 423.1826AlogP: 4.60#Rotatable Bonds: 5
Polar Surface Area: 72.70Molecular Species: NEUTRALHBA: 5HBD: 1
#RO5 Violations: 0HBA (Lipinski): 6HBD (Lipinski): 1#RO5 Violations (Lipinski): 0
CX Acidic pKa: 13.97CX Basic pKa: 4.21CX LogP: 3.23CX LogD: 3.23
Aromatic Rings: 3Heavy Atoms: 30QED Weighted: 0.65Np Likeness Score: -2.02

References

1.  (2014)  Cyclohexyl amide derivatives as CRF receptor antagonists, 

Source

Source(1):