PLINABULIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 986FY7F8XR

Structure
InChI Key UNRCMCRRFYFGFX-TYPNBTCFSA-N
Smile CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O
InChI
InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20N4O2
Molecular Weight 336.4
AlogP 0.74
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 94.4
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tubulin inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 1240 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 4230 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 530 - - -
Structural protein
- 1800 1000-1060 - 18-28

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Neutropenia 3 D009503 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Small Cell Lung Carcinoma 1 D055752 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 714272-27-2
ChEMBL CHEMBL1096380
DrugBank DB05992
FDA SRS 986FY7F8XR
PDB PN6
PubChem 9949641
SureChEMBL SCHEMBL79095
ZINC ZINC000003819466
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