Details of the Drug

General Information of Drug (ID: DMGSEB0)

Drug Name

CKD-516

Synonyms

S-516; Tubulin polymerization inhibitor (iv, solid cancer), Chong Kun Dang

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

573.1

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

10

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

10

Chemical Identifiers

Formula: C26H29ClN6O5S
IUPAC Name: (2S)-2-amino-3-methyl-N-[4-[3-(1,2,4-triazol-1-yl)-4-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
Canonical SMILES: CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)N4C=NC=N4)N.Cl
InChI: InChI=1S/C26H28N6O5S.ClH/c1-14(2)22(27)25(34)31-26-30-18(11-38-26)15-6-7-17(19(8-15)32-13-28-12-29-32)23(33)16-9-20(35-3)24(37-5)21(10-16)36-4;/h6-14,22H,27H2,1-5H3,(H,30,31,34);1H/t22-;/m0./s1
InChIKey: FIAUXCMEQTWLQZ-FTBISJDPSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT01560325) Safety Study of Increasing Doses of CKD-516 in Patients With Advanced Solid Cancers. U.S. National Institutes of Health.
2	CKD-516 displays vascular disrupting properties and enhances anti-tumor activity in combination with chemotherapy in a murine tumor model. Invest New Drugs. 2014 Jun;32(3):400-11.