Drug Information

Drug General Information
Drug ID
D0G0WP
Former ID
DNC004573
Drug Name
CGNLSTCBLGTYTQDFNKFHZYPQTAIGVGAP-amide
Indication Discovery agent Investigative [526273]
Structure
Download
2D MOL

3D MOL
Formula
C152H231N39O44S2
Canonical SMILES
CCCCC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CC1=C<br />C=C(C=C1)O)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O<br />)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C<br />(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CNC=N4)NC(CCC)C(=O)NC(CC<br />5=CC=C(C=C5)O)C(=O)N6CCCC6C(=O)NC(CCC(=O)N)C(=O)NC(C(C)<br />O)C(=O)NC(C)C(=O)NC(C(C)CC)C(=O)NCC(=O)NC(C(C)C)C(=O)NC<br />C(=O)NC(C)C(=O)N7CCCC7C(=O)N)NC(=O)C(CS)NC(=O)C(C(C)O)N<br />C(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C<br />(CS)N
InChI
1S/C152H231N39O44S2/c1-17-20-36-94(171-143(226)108(72-237)183-150(233)125(83(16)196)189-142(225)107(70-192)182-135(218)99(56-75(6)7)176-138(221)103(62-113(157)201)169-116(204)67-161-129(212)91(154)71-236)132(215)175-98(55-74(4)5)130(213)162-68-118(206)185-122(80(13)193)148(231)180-101(59-86-40-44-89(197)45-41-86)141(224)188-124(82(15)195)149(232)173-95(48-50-111(155)199)133(216)179-105(64-119(207)208)140(223)177-100(58-85-34-25-22-26-35-85)136(219)178-104(63-114(158)202)139(222)170-92(37-27-28-52-153)126(209)97(57-84-32-23-21-24-33-84)174-137(220)102(61-88-65-160-73-165-88)168-93(31-18-2)131(214)181-106(60-87-42-46-90(198)47-43-87)152(235)191-54-30-39-110(191)144(227)172-96(49-51-112(156)200)134(217)187-123(81(14)194)147(230)167-78(11)128(211)186-121(77(10)19-3)146(229)164-69-117(205)184-120(76(8)9)145(228)163-66-115(203)166-79(12)151(234)190-53-29-38-109(190)127(159)210/h21-26,32-35,40-47,65,73-83,91-110,120-125,168,192-198,236-237H,17-20,27-31,36-39,48-64,66-72,153-154H2,1-16H3,(H2,155,199)(H2,156,200)(H2,157,201)(H2,158,202)(H2,159,210)(H,160,165)(H,161,212)(H,162,213)(H,163,228)(H,164,229)(H,166,203)(H,167,230)(H,169,204)(H,170,222)(H,171,226)(H,172,227)(H,173,232)(H,174,220)(H,175,215)(H,176,221)(H,177,223)(H,178,219)(H,179,216)(H,180,231)(H,181,214)(H,182,218)(H,183,233)(H,184,205)(H,185,206)(H,186,211)(H,187,217)(H,188,224)(H,189,225)(H,207,208)/t77-,78-,79-,80+,81+,82+,83+,91-,92-,93-,94-,95-,96-,97?,98-,99-,100-,101-,102?,103-,104-,105-,106-,107-,108-,109+,110+,120-,121-,122-,123-,124-,125-/m0/s1
InChIKey
NUIBIJAKPBPKQM-QFLNUMQISA-N
PubChem Compound ID
44269029
Target and Pathway
Target(s) Calcitonin receptor Target Info Inhibitor [526273]
KEGG Pathway Neuroactive ligand-receptor interaction
Osteoclast differentiation
NetPath Pathway RANKL Signaling Pathway
Reactome G alpha (s) signalling events
Calcitonin-like ligand receptors
WikiPathways GPCRs, Class B Secretin-like
RANKL/RANK Signaling Pathway
GPCR ligand binding
GPCR downstream signaling
References
Ref 526273J Med Chem. 2002 Feb 28;45(5):1108-21.Side-chain lactam-bridge conformational constraints differentiate the activities of salmon and human calcitonins and reveal a new design concept for potent calcitonin analogues.
Ref 526273J Med Chem. 2002 Feb 28;45(5):1108-21.Side-chain lactam-bridge conformational constraints differentiate the activities of salmon and human calcitonins and reveal a new design concept for potent calcitonin analogues.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.