Details of the Drug

General Information of Drug (ID: DM5HUY0)

Drug Name

SP2456

Synonyms

SP2456; CHEMBL106187; 2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-1-YL}-2-OXO-ETHYL)-2-GUANIDINO-ACETAMIDE; FRB; AC1L9LF4; BDBM50148008; DB03957; 2-(R)-Cyclohexyl-N-(2-{4-[5-(2,3-dichloro-phenyl)-2H-pyrazol-3-yl]-piperidin-1-yl}-2-oxo-ethyl)-2-guanidino-acetamide; (R)-2-Cyclohexyl-N-(2-{4-[5-(2,3-dichloro-phenyl)-2H-pyrazol-3-yl]-piperidin-1-yl}-2-oxo-ethyl)-2-guanidino-acetamide

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)

534.5

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C25H33Cl2N7O2
IUPAC Name: (2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-[4-[3-(2,3-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
Canonical SMILES: C1CCC(CC1)[C@H](C(=O)NCC(=O)N2CCC(CC2)C3=CC(=NN3)C4=C(C(=CC=C4)Cl)Cl)N=C(N)N
InChI: InChI=1S/C25H33Cl2N7O2/c26-18-8-4-7-17(22(18)27)20-13-19(32-33-20)15-9-11-34(12-10-15)21(35)14-30-24(36)23(31-25(28)29)16-5-2-1-3-6-16/h4,7-8,13,15-16,23H,1-3,5-6,9-12,14H2,(H,30,36)(H,32,33)(H4,28,29,31)/t23-/m1/s1
InChIKey: SSSXBBASYYVGCI-HSZRJFAPSA-N