ABT-102

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: J0YBN3USJN

Structure
InChI Key TYOYXJNGINZFET-GOSISDBHSA-N
Smile CC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2[nH]ncc12
InChI
InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H24N4O
Molecular Weight 348.45
AlogP 4.67
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 69.81
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Vanilloid receptor antagonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Transient receptor potential channel
- 1-4 - 0 98

Cross References

Resources Reference
ChEMBL CHEMBL398338
FDA SRS J0YBN3USJN
PubChem 11256560
SureChEMBL SCHEMBL1857275
ZINC ZINC000028964600
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