Details of the Drug

General Information of Drug (ID: DMME6K2)

Drug Name

CP-305202

Synonyms

CP-305202; CHEMBL1276497; BDBM50330342

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): 3

Molecular Weight (mw)

512.7

Logarithm of the Partition Coefficient (xlogp)

6

Rotatable Bond Count (rotbonds)

14

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C30H44N2O5
IUPAC Name: N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-methoxy-6-(3-pyridin-3-ylpropoxy)benzamide
Canonical SMILES: CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)C2=C(C=CC=C2OCCCC3=CN=CC=C3)OC)O)O
InChI: InChI=1S/C30H44N2O5/c1-21(2)18-25(33)29(34)24(19-22-10-5-4-6-11-22)32-30(35)28-26(36-3)14-7-15-27(28)37-17-9-13-23-12-8-16-31-20-23/h7-8,12,14-16,20-22,24-25,29,33-34H,4-6,9-11,13,17-19H2,1-3H3,(H,32,35)/t24-,25-,29+/m0/s1
InChIKey: PJZBKGNAKHKHSH-IALVYGIMSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensinogenase renin (REN)	TTB2MXP	RENI_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Direct renin inhibitors as a new therapy for hypertension. J Med Chem. 2010 Nov 11;53(21):7490-520.