Details of the Drug

General Information of Drug (ID: DMNX9FC)

Drug Name

Aminomethylcyclohexane

Synonyms

Cyclohexanemethylamine; Cyclohexylmethanamine; 3218-02-8; Aminomethylcyclohexane; (Aminomethyl)cyclohexane; Cyclohexanemethanamine; 1-Cyclohexylmethanamine; Hexahydrobenzylamine; 1-cyclohexylmethylamine; 4-aminomethylcyclohexane; C-Cyclohexyl-methylamine; CHEMBL1049; DECARBOXYLATED DERIVATIVE; AVKNGPAMCBSNSO-UHFFFAOYSA-N; EINECS 221-741-8; NSC 172991; BRN 0635751; 1tng; Cyclohexanemethyamine; cyclohexylmethyl amine; cyclohexanemethylamirie; CyclohexYl-Methanamine; cyclohexanemethyl amine; cyclohexane methylamine

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

113.2

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C7H15N
IUPAC Name: cyclohexylmethanamine
Canonical SMILES: C1CCC(CC1)CN
InChI: InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2
InChIKey: AVKNGPAMCBSNSO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 76688
CAS Number: 3218-02-8
DrugBank ID: DB02435
TTD ID: D06FHW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial UDP-N-acetylglucosamine carboxyvinyltransferase (Bact murA)	TTICX3S	MURA_ECOLI	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.