Standard InChI: InChI=1S/C30H29FN2O3/c1-35-28-11-7-24(8-12-28)20-30(34)33(21-25-13-16-32-17-14-25)22-26-3-2-4-29(19-26)36-18-15-23-5-9-27(31)10-6-23/h2-14,16-17,19H,15,18,20-22H2,1H3
Standard InChI Key: WLSXINVPTHYSNM-UHFFFAOYSA-N
Associated Targets(Human)
KMS-11 183 Activities
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Glucose transporter 14755 Activities
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Solute carrier family 2, facilitated glucose transporter member 4 396 Activities
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JJN-3 67 Activities
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Solute carrier family 2, facilitated glucose transporter member 14 1 Activities
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Solute carrier family 2, facilitated glucose transporter member 8 5 Activities
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Associated Targets(non-human)
Solute carrier family 2, facilitated glucose transporter member 1 20 Activities
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Solute carrier family 2, facilitated glucose transporter member 4 143 Activities
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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
Drug Indications
MESH ID
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Max Phase for Indication
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Properties
Molecular Weight: 484.57
Molecular Weight (Monoisotopic): 484.2162
AlogP: 5.62
#Rotatable Bonds: 11
Polar Surface Area: 51.66
Molecular Species: NEUTRAL
HBA: 4
HBD: 0
#RO5 Violations: 1
HBA (Lipinski): 5
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 1
CX Acidic pKa:
CX Basic pKa: 5.02
CX LogP: 5.32
CX LogD: 5.32
Aromatic Rings: 4
Heavy Atoms: 36
QED Weighted: 0.28
Np Likeness Score: -1.20
References
1.Wei C, Bajpai R, Sharma H, Heitmeier M, Jain AD, Matulis SM, Nooka AK, Mishra RK, Hruz PW, Schiltz GE, Shanmugam M.. (2017) Development of GLUT4-selective antagonists for multiple myeloma therapy., 139 [PMID:28837922][10.1016/j.ejmech.2017.08.029]
