Standard InChI: InChI=1S/C24H17N5/c1-3-16-7-5-9-19(13-16)26-23-24(27-20-10-6-8-17(4-2)14-20)29-22-15-18(25)11-12-21(22)28-23/h1-2,5-15H,25H2,(H,26,28)(H,27,29)
Standard InChI Key: DHCDSFCBMZZMEU-UHFFFAOYSA-N
Associated Targets(Human)
NCI-H1703 410 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
NCI-H226 44470 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
A549 127892 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
NCI-H358 882 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
NCI-H2170 227 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
NCI-H520 551 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
SW900 186 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Unknown
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
Drug Indications
MESH ID
MESH Heading
EFO IDs
EFO Terms
Max Phase for Indication
References
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Properties
Molecular Weight: 375.44
Molecular Weight (Monoisotopic): 375.1484
AlogP: 4.66
#Rotatable Bonds: 4
Polar Surface Area: 75.86
Molecular Species: NEUTRAL
HBA: 5
HBD: 3
#RO5 Violations: 0
HBA (Lipinski): 5
HBD (Lipinski): 4
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa: 3.98
CX LogP: 4.84
CX LogD: 4.84
Aromatic Rings: 4
Heavy Atoms: 29
QED Weighted: 0.36
Np Likeness Score: -1.11
References
1. (2017) Aryl amine substituted quinoxaline used as anticancer drugs,
