Details of the Drug

General Information of Drug (ID: DMZ86CS)

Drug Name

3-(4-Amino-phenyl)-3-heptyl-piperidine-2,6-dione

Synonyms

CHEMBL29338; 3-(4-aminophenyl)-3-heptylpiperidine-2,6-dione; NSC622730; AC1L7GXY; 3-(4-Amino-phenyl)-3-heptyl-piperidine-2,6-dione; AC1Q6G81; CTK6D7912; 2,3-(4-aminophenyl)-3-heptyl-; BDBM50025057; NSC-622730; NCI60_006748; 2,6-piperidinedione, 3-(4-aminophenyl)-3-heptyl-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

302.4

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H26N2O2
IUPAC Name: 3-(4-aminophenyl)-3-heptylpiperidine-2,6-dione
Canonical SMILES: CCCCCCCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N
InChI: InChI=1S/C18H26N2O2/c1-2-3-4-5-6-12-18(13-11-16(21)20-17(18)22)14-7-9-15(19)10-8-14/h7-10H,2-6,11-13,19H2,1H3,(H,20,21,22)
InChIKey: OSRMOQHQZPPFAZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 360578
TTD ID: D0E2RV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aromatase (CYP19A1)	TTSZLWK	CP19A_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Aromatase inhibitors. Synthesis and evaluation of mammary tumor inhibiting activity of 3-alkylated 3-(4-aminophenyl)piperidine-2,6-diones. J Med Chem. 1986 Aug;29(8):1362-9.