Details of the Drug

General Information of Drug (ID: DMF10WT)

Drug Name

Cis-2-aminocyclohexylcarbamoylphosphonic acid

Synonyms

cis-ACCP; cis-2-aminocyclohexylcarbamoylphosphonic acid; 777075-44-2; CHEMBL270083; SCHEMBL569075; C7H15N2O4P; CTK8E9417; MolPort-039-139-066; BDBM50234465; 1683AH; ZINC29134634

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): 1

Molecular Weight (mw)

222.18

Logarithm of the Partition Coefficient (xlogp)

-3.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C7H15N2O4P
IUPAC Name: [(1R,2S)-2-aminocyclohexyl]carbamoylphosphonic acid
Canonical SMILES: C1CC[C@H]([C@H](C1)N)NC(=O)P(=O)(O)O
InChI: InChI=1S/C7H15N2O4P/c8-5-3-1-2-4-6(5)9-7(10)14(11,12)13/h5-6H,1-4,8H2,(H,9,10)(H2,11,12,13)/t5-,6+/m0/s1
InChIKey: XHCXISPZIHYKQD-NTSWFWBYSA-N

Cross-matching ID

PubChem CID: 44457233
TTD ID: D0T1FR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-2 (MMP-2)	TTLM12X	MMP2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Carbamoylphosphonate matrix metalloproteinase inhibitors 6: cis-2-aminocyclohexylcarbamoylphosphonic acid, a novel orally active antimetastatic mat... J Med Chem. 2008 Mar 13;51(5):1406-14.